LiH.xyz

2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.04706 1.69485 -1.79225" energy=-218.90366792620694 pbc="F F F"
Li       0.00451011       0.16239181      -0.17172468       0.34534000       0.37600200
H       -0.03105172      -1.11805473       1.18231077      -0.34534000      -0.37601600
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.04891 1.76325 -1.80194" energy=-218.82006312336753 pbc="F F F"
Li       0.00476422       0.17172565      -0.17549386       0.34448300       0.37256700
H       -0.03280131      -1.18231744       1.20826128      -0.34448300      -0.37257800
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05036 1.81684 -1.79808" energy=-218.76265524371374 pbc="F F F"
Li       0.00495368       0.17870166      -0.17685648       0.34426600       0.37068700
H       -0.03410572      -1.23034674       1.21764285      -0.34426600      -0.37069600
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05137 1.85456 -1.7793" energy=-218.73933298909031 pbc="F F F"
Li       0.00507238       0.18310691      -0.17567745       0.34424400       0.37001000
H       -0.03492296      -1.26067656       1.20952529      -0.34424400      -0.37001900
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.0034 0.12032 -2.51046" energy=-218.83327152731377 pbc="F F F"
Li       0.00033067       0.01169079      -0.24390618       0.34461800       0.37305500
H       -0.00227661      -0.08049014       1.67927466      -0.34461800      -0.37306000
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05194 1.87611 -1.74512" energy=-218.75242555601665 pbc="F F F"
Li       0.00511742       0.18484056      -0.17193729       0.34425500       0.37038500
H       -0.03523300      -1.27261259       1.18377461      -0.34425500      -0.37039300
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05207 1.88182 -1.69568" energy=-218.80059739203364 pbc="F F F"
Li       0.00508891       0.18390324      -0.16571447       0.34439000       0.37189400
H       -0.03503671      -1.26615921       1.14093099      -0.34439000      -0.37190200
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05179 1.87283 -1.63179" energy=-218.87788314778973 pbc="F F F"
Li       0.00499011       0.18040968      -0.15718963       0.34498800       0.37483300
H       -0.03435652      -1.24210634       1.08223816      -0.34498800      -0.37484200
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05118 1.85151 -1.55515" energy=-218.96938834819963 pbc="F F F"
Li       0.00482800       0.17461715      -0.14666242       0.34670000       0.37961000
H       -0.03324042      -1.20222524       1.00975914      -0.34670000      -0.37961500
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05035 1.82221 -1.4688" energy=-219.04707053526434 pbc="F F F"
Li       0.00461613       0.16702550      -0.13462309       0.35032400       0.38646700
H       -0.03178165      -1.14995728       0.92686927      -0.35032400      -0.38647300
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.0495 1.79217 -1.37762" energy=-219.0711730630212 pbc="F F F"
Li       0.00437945       0.15855129      -0.12186637       0.35685500       0.39510900
H       -0.03015219      -1.09161301       0.83904030      -0.35685500      -0.39511500
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.04887 1.77103 -1.28783" energy=-219.01081842460547 pbc="F F F"
Li       0.00415908       0.15070458      -0.10957979       0.36634500       0.40417800
H       -0.02863493      -1.03758904       0.75444813      -0.36634500      -0.40420300
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.04874 1.76879 -1.20606" energy=-218.89326959629864 pbc="F F F"
Li       0.00401377       0.14562000      -0.09928800       0.37612300       0.41127700
H       -0.02763448      -1.00258214       0.68358999      -0.37612300      -0.41130400
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.04929 1.79219 -1.13789" energy=-218.82711941884554 pbc="F F F"
Li       0.00400300       0.14552147      -0.09239167       0.38066100       0.41405000
H       -0.02756031      -1.00190377       0.63610930      -0.38066100      -0.41407200
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05054 1.84257 -1.08695" energy=-218.88820496992014 pbc="F F F"
Li       0.00415675       0.15152442      -0.08938303       0.37647100       0.41150300
H       -0.02861888      -1.04323363       0.61539507      -0.37647100      -0.41152400
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.00454 0.16065 -2.44935" energy=-218.92156524506083 pbc="F F F"
Li       0.00043371       0.01533314      -0.23375315       0.34566900       0.37688700
H       -0.00298609      -0.10556745       1.60937188      -0.34566900      -0.37689300
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05244 1.91633 -1.05364" energy=-219.00612024544535 pbc="F F F"
Li       0.00445372       0.16278947      -0.08950423       0.36678500       0.40455200
H       -0.03066349      -1.12079258       0.61622953      -0.36678500      -0.40457000
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05477 2.00576 -1.03426" energy=-219.07034048516837 pbc="F F F"
Li       0.00483517       0.17713315      -0.09133948       0.35718900       0.39552000
H       -0.03328979      -1.21954771       0.62886508      -0.35718900      -0.39552400
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05727 2.10076 -1.02259" energy=-219.04979453508955 pbc="F F F"
Li       0.00523895       0.19225718      -0.09358932       0.35056400       0.38684500
H       -0.03606972      -1.32367539       0.64435501      -0.35056400      -0.38685100
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05965 2.19145 -1.01252" energy=-218.97394132966244 pbc="F F F"
Li       0.00561715       0.20641719      -0.09537671       0.34680900       0.37989300
H       -0.03867364      -1.42116596       0.65666107      -0.34680900      -0.37990000
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.06172 2.27025 -0.99956" energy=-218.88272411086106 pbc="F F F"
Li       0.00593818       0.21847816      -0.09619799       0.34505100       0.37503800
H       -0.04088386      -1.50420479       0.66231552      -0.34505100      -0.37504700
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.06333 2.33234 -0.98096" energy=-218.8048824959048 pbc="F F F"
Li       0.00618402       0.22775770      -0.09579740       0.34442900       0.37204000
H       -0.04257646      -1.56809367       0.65955746      -0.34442900      -0.37204600
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.06443 2.3751 -0.95527" energy=-218.7558220535734 pbc="F F F"
Li       0.00634413       0.23386773      -0.09406608       0.34428400       0.37048800
H       -0.04367887      -1.61016074       0.64763753      -0.34428400      -0.37049200
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.06497 2.39731 -0.92179" energy=-218.7417014523473 pbc="F F F"
Li       0.00641259       0.23659765      -0.09097738       0.34426900       0.37008100
H       -0.04415015      -1.62895605       0.62637201      -0.34426900      -0.37008500
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.06496 2.39873 -0.88027" energy=-218.7638869301763 pbc="F F F"
Li       0.00638759       0.23588034      -0.08656465       0.34429100       0.37072800
H       -0.04397805      -1.62401740       0.59599076      -0.34429100      -0.37073100
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.06439 2.37996 -0.83079" energy=-218.82006483425624 pbc="F F F"
Li       0.00627095       0.23178231      -0.08091242       0.34450500       0.37257100
H       -0.04317498      -1.59580279       0.55707558      -0.34450500      -0.37257500
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.00571 0.2019 -2.37265" energy=-219.01171207933945 pbc="F F F"
Li       0.00053168       0.01879469      -0.22084399       0.34818000       0.38272900
H       -0.00366055      -0.12939996       1.52049331      -0.34818000      -0.38273200
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.06331 2.34271 -0.77374" energy=-218.90246569579767 pbc="F F F"
Li       0.00606827       0.22452077      -0.07415594       0.34533900       0.37594700
H       -0.04177959      -1.54580772       0.51055780      -0.34533900      -0.37595500
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.06183 2.2903 -0.7099" energy=-218.99303864038097 pbc="F F F"
Li       0.00579103       0.21451074      -0.06649122       0.34744800       0.38124200
H       -0.03987077      -1.47688940       0.45778680      -0.34744800      -0.38124800
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.06008 2.22877 -0.64061" energy=-219.0604031416364 pbc="F F F"
Li       0.00545960       0.20250929      -0.05820686       0.35178500       0.38862300
H       -0.03758888      -1.39426042       0.40074965      -0.35178500      -0.38863400
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05832 2.16737 -0.56769" energy=-219.06402350742928 pbc="F F F"
Li       0.00510828       0.18982937      -0.04972248       0.35906900       0.39750100
H       -0.03517011      -1.30696018       0.34233529      -0.35906900      -0.39750500
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05686 2.11788 -0.49336" energy=-218.98298974584011 pbc="F F F"
Li       0.00479232       0.17851373      -0.04158762       0.36899500       0.40627200
H       -0.03299478      -1.22905283       0.28632750      -0.36899500      -0.40628000
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05599 2.09148 -0.41994" energy=-218.86736683461785 pbc="F F F"
Li       0.00458340       0.17121945      -0.03438166       0.37793500       0.41240600
H       -0.03155636      -1.17883236       0.23671499      -0.37793500      -0.41240700
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.0559 2.09513 -0.35005" energy=-218.8327230775835 pbc="F F F"
Li       0.00454419       0.17031049      -0.02845812       0.38027900       0.41381500
H       -0.03128642      -1.17257420       0.19593186      -0.38027900      -0.41381700
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05664 2.12991 -0.28632" energy=-218.9193019478788 pbc="F F F"
Li       0.00469230       0.17642711      -0.02371911       0.37419100       0.40999500
H       -0.03230608      -1.21468665       0.16330419      -0.37419100      -0.41000000
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.05811 2.19124 -0.22997" energy=-219.0307953121386 pbc="F F F"
Li       0.00498624       0.18800276      -0.01973304       0.36414800       0.40230400
H       -0.03432985      -1.29438412       0.13586042      -0.36414800      -0.40231000
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.06004 2.26946 -0.18002" energy=-219.07258526380494 pbc="F F F"
Li       0.00535458       0.20235690      -0.01605404       0.35523600       0.39320900
H       -0.03686582      -1.39321122       0.11053077      -0.35523600      -0.39321400
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.00694 0.24527 -2.28737" energy=-219.06851274491422 pbc="F F F"
Li       0.00062538       0.02210305      -0.20611079       0.35325500       0.39065700
H       -0.00430571      -0.15217771       1.41905645      -0.35325500      -0.39066500
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.0 0.0 -2.56973" energy=-218.74087477280722 pbc="F F F"
Li       0.00000000       0.00000000      -0.25364872       0.34428800       0.37006000
H        0.00000000       0.00000000       1.74635128      -0.34428800      -0.37006300
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.00828 0.2927 -2.20357" energy=-219.05122365863426 pbc="F F F"
Li       0.00071858       0.02538742      -0.19110969       0.36142600       0.39981700
H       -0.00494734      -0.17479037       1.31577505      -0.36142600      -0.39982200
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.00982 0.34667 -2.13334" energy=-218.95089006308257 pbc="F F F"
Li       0.00081980       0.02895161      -0.17814649       0.37172500       0.40828900
H       -0.00564422      -0.19932951       1.22652445      -0.37172500      -0.40829600
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.01159 0.40895 -2.08743" energy=-218.84166652861512 pbc="F F F"
Li       0.00094336       0.03330564      -0.16998673       0.37968300       0.41346300
H       -0.00649495      -0.22930669       1.17034511      -0.37968300      -0.41346200
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.01357 0.47909 -2.07202" energy=-218.8400098101262 pbc="F F F"
Li       0.00110464       0.03900460      -0.16867601       0.37979300       0.41352700
H       -0.00760534      -0.26854360       1.16132094      -0.37979300      -0.41352500
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.0157 0.55453 -2.0877" energy=-218.94779784504024 pbc="F F F"
Li       0.00130952       0.04627188      -0.17419207       0.37197200       0.40846000
H       -0.00901598      -0.31857825       1.19929854      -0.37197200      -0.40846100
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.01788 0.63229 -2.12913" energy=-219.0495525405329 pbc="F F F"
Li       0.00154914       0.05478338      -0.18446642       0.36167400       0.40005200
H       -0.01066571      -0.37717920       1.27003663      -0.36167400      -0.40005200
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.02005 0.70963 -2.1859" energy=-219.06919007478925 pbc="F F F"
Li       0.00180506       0.06388392      -0.19677673       0.35342400       0.39089700
H       -0.01242767      -0.43983572       1.35479215      -0.35342400      -0.39090300
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.02213 0.78387 -2.24597" energy=-219.01409697966133 pbc="F F F"
Li       0.00205836       0.07290515      -0.20887753       0.34826400       0.38293000
H       -0.01417167      -0.50194620       1.43810522      -0.34826400      -0.38293800
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.02406 0.85271 -2.29927" energy=-218.92465125915209 pbc="F F F"
Li       0.00229465       0.08132721      -0.21927820       0.34569200       0.37703800
H       -0.01579847      -0.55993135       1.50971298      -0.34569200      -0.37704600
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.02579 0.91436 -2.33883" energy=-218.83643915556266 pbc="F F F"
Li       0.00250385       0.08878950      -0.22709955       0.34461300       0.37316700
H       -0.01723877      -0.61130870       1.56356236      -0.34461300      -0.37317300
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.00114 0.04023 -2.5721" energy=-218.73635372948425 pbc="F F F"
Li       0.00011241       0.00397447      -0.25406727       0.34428700       0.36993400
H       -0.00077396      -0.02736394       1.74923299      -0.34428700      -0.36993700
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.02728 0.96775 -2.36072" energy=-218.7712981297756 pbc="F F F"
Li       0.00267925       0.09505079      -0.23185616       0.34431500       0.37095400
H       -0.01844639      -0.65441713       1.59631128      -0.34431500      -0.37096000
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.02853 1.0123 -2.36291" energy=-218.73914139957176 pbc="F F F"
Li       0.00281632       0.09995190      -0.23329922       0.34428100       0.37001100
H       -0.01939014      -0.68816086       1.60624663      -0.34428100      -0.37001800
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.02952 1.04786 -2.34463" energy=-218.7433245584342 pbc="F F F"
Li       0.00291223       0.10339334      -0.23133776       0.34428800       0.37013000
H       -0.02005045      -0.71185493       1.59274213      -0.34428800      -0.37013700
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.03026 1.07461 -2.30592" energy=-218.78339428761095 pbc="F F F"
Li       0.00296575       0.10533095      -0.22601376       0.34436000       0.37133400
H       -0.02041893      -0.72519522       1.55608678      -0.34436000      -0.37134200
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.03078 1.09314 -2.24772" energy=-218.85480839391968 pbc="F F F"
Li       0.00297752       0.10578207      -0.21750298       0.34477400       0.37387300
H       -0.02050001      -0.72830115       1.49749072      -0.34477400      -0.37388300
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.0311 1.10475 -2.17214" energy=-218.94542658725558 pbc="F F F"
Li       0.00295043       0.10484244      -0.20613545       0.34610300       0.37815300
H       -0.02031351      -0.72183190       1.41922621      -0.34610300      -0.37816100
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.0313 1.11189 -2.08311" energy=-219.030521838607 pbc="F F F"
Li       0.00289051       0.10273681      -0.19247513       0.34914800       0.38450600
H       -0.01990095      -0.70733480       1.32517603      -0.34914800      -0.38450600
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.03149 1.11882 -1.98723" energy=-219.07235955431042 pbc="F F F"
Li       0.00281072       0.09992288      -0.17748208       0.35486500       0.39280100
H       -0.01935160      -0.68796113       1.22195000      -0.35486500      -0.39280600
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.03183 1.13173 -1.89359" energy=-219.0337005347334 pbc="F F F"
Li       0.00273425       0.09722661      -0.16268221       0.36377900       0.40200300
H       -0.01882510      -0.66939749       1.12005413      -0.36377900      -0.40202500
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.03253 1.15748 -1.81227" energy=-218.9219173056739 pbc="F F F"
Li       0.00269686       0.09593225      -0.15020657       0.37400400       0.40988500
H       -0.01856767      -0.66048593       1.03416029      -0.37400400      -0.40991600
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.00227 0.08029 -2.55208" energy=-218.76827305865828 pbc="F F F"
Li       0.00022315       0.00788964      -0.25077641       0.34432400       0.37086500
H       -0.00153637      -0.05431956       1.72657569      -0.34432400      -0.37086800
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.03373 1.20114 -1.75182" energy=-218.83056016652426 pbc="F F F"
Li       0.00274109       0.09759175      -0.14233878       0.38044000       0.41392000
H       -0.01887221      -0.67191143       0.97999119      -0.38044000      -0.41394200
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.03541 1.26362 -1.71715" energy=-218.86137363321527 pbc="F F F"
Li       0.00289617       0.10331075      -0.14039543       0.37836500       0.41267700
H       -0.01993989      -0.71128632       0.96661138      -0.37836500      -0.41269500
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.03752 1.34202 -1.70862" energy=-218.9780352570023 pbc="F F F"
Li       0.00315822       0.11293869      -0.14379749       0.36944500       0.40661500
H       -0.02174408      -0.77757391       0.99003429      -0.36944500      -0.40663000
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.03991 1.43108 -1.7211" energy=-219.06260483602293 pbc="F F F"
Li       0.00349239       0.12516686      -0.15054396       0.35938200       0.39782200
H       -0.02404482      -0.86176393       1.03648321      -0.35938200      -0.39782500
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.04242 1.52399 -1.74541" energy=-219.0615825009302 pbc="F F F"
Li       0.00385272       0.13833561      -0.15844328       0.35189900       0.38884500
H       -0.02652568      -0.95242967       1.09086937      -0.35189900      -0.38885700
2
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.04486 1.6138 -1.77172" energy=-218.99493763269706 pbc="F F F"
Li       0.00420088       0.15106183      -0.16584787       0.34747200       0.38137400
H       -0.02892271      -1.04004871       1.14184940      -0.34747200      -0.38138700
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.08111 0.38431 1.03866" energy=-879.9643145158734 pbc="F F F"
H        0.21796075      -1.03770710      -2.78315634      -0.43330900      -0.33185900
Li      -0.16060127      -0.53891290      -0.91929116       0.44609700       0.24006400
H       -0.86432937      -0.95147640       0.95958760      -0.54084000      -0.26375100
Li      -0.59906071      -0.09733507       2.72975336       0.61109500       0.40888300
Li       0.40492165       0.46401830      -2.61821247       0.57100700       0.33758700
H        0.17510951       0.92024227      -1.28473432      -0.58679100      -0.30954000
Li       0.37155423       0.20988305       0.90070892       0.44758500       0.27252300
H        0.35549687       0.80970054       2.46829011      -0.51484400      -0.35405200
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.19088 0.27292 1.11952" energy=-879.8698287823919 pbc="F F F"
H        0.20310125      -0.95134452      -2.72748612      -0.45581200      -0.33993300
Li      -0.18477049      -0.55718282      -0.88901201       0.44010500       0.24316500
H       -0.82748806      -0.92064421       0.92396160      -0.56248400      -0.26760000
Li      -0.63894939      -0.07854663       2.72117614       0.62199600       0.41971600
Li       0.42380499       0.44390454      -2.58551970       0.59150200       0.33187700
H        0.22236942       0.96676122      -1.32098226      -0.58083700      -0.30462100
Li       0.40439092       0.21263575       0.85364069       0.47345400       0.27233900
H        0.37120021       0.76194661       2.43405176      -0.52792500      -0.35509300
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.33604 0.14412 1.12081" energy=-880.0860364852255 pbc="F F F"
H        0.18109015      -0.90427753      -2.66771945      -0.47510200      -0.34480000
Li      -0.21237998      -0.58058480      -0.86084461       0.44636700       0.24201400
H       -0.79062860      -0.89229942       0.88646482      -0.58709400      -0.27255100
Li      -0.68588064      -0.06560094       2.71436699       0.61092600       0.42831700
Li       0.44513368       0.42812005      -2.56025009       0.58589400       0.32914100
H        0.26975889       1.03653126      -1.30249931      -0.56232300      -0.29406100
Li       0.43986478       0.21948788       0.80729199       0.50121800       0.26124000
H        0.43108840       0.75025406       2.39137688      -0.51988500      -0.34929100
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.50379 0.0214 1.04173" energy=-880.4964519972741 pbc="F F F"
H        0.14808357      -0.90981844      -2.60488014      -0.48330800      -0.34468600
Li      -0.24329427      -0.60794971      -0.83559813       0.47091600       0.23677100
H       -0.75673932      -0.86815989       0.84866034      -0.61234300      -0.27776100
Li      -0.73756824      -0.05648512       2.70822282       0.59238400       0.43519600
Li       0.46925806       0.41838039      -2.54148820       0.55028100       0.33005200
H        0.31660229       1.12152920      -1.23300283      -0.53610600      -0.28083500
Li       0.47814120       0.23063135       0.76233249       0.51878900       0.24086600
H        0.52244527       0.76263595       2.34569616      -0.50061300      -0.33949000
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.6794 -0.07495 0.89019" energy=-880.8686884947311 pbc="F F F"
H        0.10264164      -0.96619762      -2.53847432      -0.47824500      -0.33906700
Li      -0.27735066      -0.63845726      -0.81385003       0.50775800       0.22842500
H       -0.72835969      -0.84923374       0.81377078      -0.63560400      -0.28234900
Li      -0.79119957      -0.04921928       2.70158736       0.57665800       0.44101100
Li       0.49607105       0.41510661      -2.52731986       0.49810200       0.33514300
H        0.36346719       1.21067004      -1.12680712      -0.50868000      -0.26861000
Li       0.51930665       0.24615616       0.71915309       0.51960600       0.21484000
H        0.62833945       0.78661800       2.30367362      -0.47959500      -0.32938700
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.84861 -0.13342 0.6813" energy=-881.0301389557034 pbc="F F F"
H        0.04758022      -1.05754974      -2.46838805      -0.46488400      -0.32963400
Li      -0.31435545      -0.67148728      -0.79591318       0.54457800       0.21856900
H       -0.70732395      -0.83559309       0.78667916      -0.65449600      -0.28538600
Li      -0.84458542      -0.04254479       2.69359029       0.56638100       0.44579100
Li       0.52496843       0.41695608      -2.51588225       0.44906800       0.34459400
H        0.41060676       1.29336870      -1.00024027      -0.48374300      -0.25983300
Li       0.56331602       0.26597223       0.67802057       0.50389500       0.18744200
H        0.73560066       0.81392095       2.27012465      -0.46079800      -0.32160100
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.0007 -0.15406 0.43407" energy=-880.959676603159 pbc="F F F"
H       -0.01165817      -1.16457354      -2.39651124      -0.44889800      -0.31944800
Li      -0.35409852      -0.70653045      -0.78175499       0.57205900       0.20914300
H       -0.69460828      -0.82636379       0.77282203      -0.66720400      -0.28640800
Li      -0.89633074      -0.03582725       2.68369535       0.56129600       0.44906500
Li       0.55513008       0.42192064      -2.50572566       0.41539800       0.35801900
H        0.45755126       1.36224921      -0.86772760      -0.46243100      -0.25546900
Li       0.60998255       0.28975598       0.63924185       0.47421900       0.16215500
H        0.83611334       0.83992490       2.24730117      -0.44443800      -0.31706500
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.32154 0.72193 -0.33001" energy=-878.4243445455273 pbc="F F F"
H        0.11002780      -1.30147544      -3.70880854      -0.43114400      -0.34515900
Li      -0.01907649      -1.20738976      -1.23928640       0.49099400       0.22915800
H       -0.05119955      -1.32988466       1.31074978      -0.52851800      -0.29728800
Li      -0.06353291      -1.15826208       3.71132270       0.45954300       0.35622500
Li       0.03131348       1.23133929      -3.73226642       0.50877300       0.41532900
H        0.06704089       0.97163390      -1.24054719      -0.56040400      -0.29044700
Li       0.01507466       1.20271831       1.23879040       0.49661600       0.27483900
H        0.12351135       1.18875809       3.78621669      -0.43586000      -0.34263700
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.12968 -0.14496 0.16865" energy=-880.7393481437836 pbc="F F F"
H       -0.06954749      -1.27239083      -2.32647210      -0.43280700      -0.31099600
Li      -0.39640275      -0.74319933      -0.77096982       0.58482600       0.20176400
H       -0.69020389      -0.81981987       0.77688265      -0.67303600      -0.28544000
Li      -0.94560089      -0.02879873       2.67159358       0.56062200       0.45030100
Li       0.58584736       0.42837143      -2.49581129       0.39956900       0.37399800
H        0.50346168       1.41409765      -0.74161377      -0.44440600      -0.25533600
Li       0.65897959       0.31690022       0.60327695       0.43542000       0.14128700
H        0.92534354       0.86212230       2.23550815      -0.43018800      -0.31554700
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.23277 -0.11712 -0.09487" energy=-880.463212202477 pbc="F F F"
H       -0.12174766      -1.37204291      -2.26249956      -0.41699800      -0.30541500
Li      -0.44114339      -0.78117819      -0.76274354       0.58043400       0.19735200
H       -0.69332450      -0.81385624       0.80104636      -0.67274800      -0.28287500
Li      -0.99187139      -0.02135237       2.65712964       0.56337200       0.44922400
Li       0.61663514       0.43530864      -2.48541424       0.39850400       0.39031800
H        0.54728753       1.44947413      -0.63314626      -0.42943600      -0.25836700
Li       0.70991714       0.34650697       0.57079633       0.39545700       0.12616300
H        1.00077049       0.87904568       2.23389402      -0.41858500      -0.31637200
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.31044 -0.08207 -0.33714" energy=-880.2019229020949 pbc="F F F"
H       -0.16519080      -1.45898729      -2.20853751      -0.40188600      -0.30256500
Li      -0.48825115      -0.82019813      -0.75594538       0.56130700       0.19626400
H       -0.70279593      -0.80653223       0.84408225      -0.66820200      -0.27960400
Li      -1.03483050      -0.01345913       2.64028709       0.56859500       0.44600800
Li       0.64720069       0.44220138      -2.47404645       0.40606700       0.40454200
H        0.58781392       1.47235184      -0.55296396      -0.41795600      -0.26296600
Li       0.76242608       0.37739517       0.54270167       0.36251900       0.11720700
H        1.06130072       0.88997443       2.24103151      -0.41044300      -0.31887500
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.36539 -0.04901 -0.54131" energy=-880.0125574749433 pbc="F F F"
H       -0.19776555      -1.53122490      -2.16767443      -0.38901100      -0.30179300
Li      -0.53768793      -0.86002416      -0.74931240       0.53482100       0.19860600
H       -0.71741461      -0.79648722       0.90170485      -0.66191700      -0.27689800
Li      -1.07431291      -0.00512259       2.62116379       0.57554100       0.44117200
Li       0.67736459       0.44877305      -2.46140379       0.41545600       0.41469900
H        0.62374030       1.48882277      -0.51034199      -0.41050200      -0.26746800
Li       0.81620953       0.40826040       0.51998891       0.34165400       0.11416000
H        1.10679830       0.89474873       2.25525063      -0.40604300      -0.32247000
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.40107 -0.02303 -0.69363" energy=-879.9425404203228 pbc="F F F"
H       -0.21818569      -1.58805461      -2.14168486      -0.38012500      -0.30232400
Li      -0.58940421      -0.90045946      -0.74169686       0.50919300       0.20424300
H       -0.73629355      -0.78330621       0.96769197      -0.65618500      -0.27592700
Li      -1.11025274       0.00366274       2.59997467       0.58365800       0.43541000
Li       0.70701282       0.45489463      -2.44731112       0.42140500       0.41948500
H        0.65389941       1.50445617      -0.51177420      -0.40682000      -0.27060400
Li       0.87105818       0.43802624       0.50348424       0.33397900       0.11639500
H        1.13768953       0.89358960       2.27476577      -0.40510400      -0.32664200
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.42076 -0.00569 -0.78211" energy=-880.0056716559687 pbc="F F F"
H       -0.22591403      -1.62923248      -2.13072553      -0.37633000      -0.30352500
Li      -0.64329480      -0.94137043      -0.73229586       0.49015000       0.21276300
H       -0.75891921      -0.76765320       1.03507147      -0.65256400      -0.27729200
Li      -1.14265974       0.01295824       2.57707686       0.59256500       0.42948800
Li       0.73606368       0.46053266      -2.43168293       0.42124800       0.41817100
H        0.67776670       1.52135053      -0.55927728      -0.40619400      -0.27216200
Li       0.92678201       0.46622285       0.49353429       0.33794800       0.12339100
H        1.15466106       0.88694136       2.29775998      -0.40682300      -0.33077600
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.42697 0.00336 -0.79692" energy=-880.1634115232262 pbc="F F F"
H       -0.22110916      -1.65440598      -2.13331760      -0.37785700      -0.30494100
Li      -0.69916540      -0.98269256      -0.72071080       0.48017000       0.22348400
H       -0.78497786      -0.75116225       1.09669270      -0.65164300      -0.28080700
Li      -1.17161520       0.02289937       2.55297534       0.60168300       0.42409000
Li       0.76444063       0.46567635      -2.41452831       0.41508500       0.41058900
H        0.69595204       1.53701770      -0.64938611      -0.40837000      -0.27324300
Li       0.98311740       0.49312000       0.48982128       0.35098500       0.13503200
H        1.15851260       0.87541361       2.32247013      -0.41005200      -0.33414200
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.42166 0.00467 -0.73425" energy=-880.348666699635 pbc="F F F"
H       -0.20458238      -1.66302672      -2.14664475      -0.38418200      -0.30622100
Li      -0.75672605      -1.02442538      -0.70693333       0.47927400       0.23552900
H       -0.81419127      -0.73641115       1.14553669      -0.65294700      -0.28564000
Li      -1.19726343       0.03372007       2.52832972       0.60992200       0.41960300
Li       0.79205917       0.47026082      -2.39600678       0.40557100       0.39740600
H        0.71024985       1.54637041      -0.77373832      -0.41385500      -0.27593300
Li       1.03970051       0.51947823       0.49146858       0.36995200       0.15143500
H        1.15006632       0.85972020       2.34727108      -0.41373400      -0.33614900
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.40616 -0.00215 -0.59934" energy=-880.5024840523727 pbc="F F F"
H       -0.17766521      -1.65457102      -2.16715168      -0.39432800      -0.30707100
Li      -0.81560990      -1.06660000      -0.69121490       0.48618500       0.24795100
H       -0.84628127      -0.72654827       1.17514050      -0.65528400      -0.29068100
Li      -1.21978066       0.04572442       2.50387046       0.61575200       0.41599700
Li       0.81882858       0.47408714      -2.37649680       0.39695300       0.38016500
H        0.72311169       1.54512662      -0.92075755      -0.42369200      -0.28218800
Li       1.09611670       0.54611698       0.49732433       0.39175200       0.17240700
H        1.13009102       0.84061576       2.37073222      -0.41733700      -0.33658900
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.38097 -0.01914 -0.40671" energy=-880.5843487098789 pbc="F F F"
H       -0.14211255      -1.62874073      -2.19090313      -0.40717700      -0.30728700
Li      -0.87538217      -1.10924713      -0.67400335       0.49915700       0.25991300
H       -0.88114466      -0.72456132       1.18069163      -0.65735000      -0.29495600
Li      -1.23932139       0.05920414       2.48023685       0.61782900       0.41293600
Li       0.84466507       0.47669022      -2.35671593       0.39285400       0.36075800
H        0.73690233       1.53262232      -1.07700716      -0.43838500      -0.29276800
Li       1.15197183       0.57362123       0.50627089       0.41405000       0.19699500
H        1.09923454       0.81883149       2.39161168      -0.42097800      -0.33563600
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.40359 0.91422 -0.43155" energy=-878.5464663880746 pbc="F F F"
H        0.13988437      -1.27979849      -3.67373705      -0.43013300      -0.34316200
Li      -0.02436402      -1.19068359      -1.23737367       0.49772400       0.22588500
H       -0.06746248      -1.34258359       1.33429485      -0.52582200      -0.29758200
Li      -0.08206397      -1.12380702       3.69372406       0.45028200       0.34365700
Li       0.04100786       1.21782476      -3.72105947       0.51144000       0.41980800
H        0.08464900       0.88760148      -1.23743575      -0.56677500      -0.29051400
Li       0.01989473       1.18386309       1.23657092       0.50049300       0.28292600
H        0.15636790       1.13443453       3.77060709      -0.43720800      -0.34098500
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.34583 -0.05065 -0.17886" energy=-880.5664666284487 pbc="F F F"
H       -0.09992337      -1.58567379      -2.21405458      -0.42170000      -0.30676500
Li      -0.93557018      -1.15237070      -0.65586347       0.51656500       0.27093200
H       -0.91916875      -0.73225932       1.16039873      -0.65838800      -0.29808700
Li      -1.25595041       0.07430765       2.45777789       0.61577100       0.40999300
Li       0.86952019       0.47709905      -2.33790229       0.39410900       0.34060300
H        0.75335326       1.51382175      -1.22715560      -0.45620000      -0.30631700
Li       1.20693053       0.60228263       0.51739259       0.43517400       0.22327000
H        1.05798563       0.79503256       2.40883841      -0.42533200      -0.33365100
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.30078 -0.10274 0.05642" energy=-880.4667555972726 pbc="F F F"
H       -0.05308686      -1.52613047      -2.23332096      -0.43724000      -0.30568700
Li      -0.99570241      -1.19592900      -0.63742249       0.53729900       0.28112200
H       -0.96139819      -0.74957018       1.11648713      -0.65857600      -0.30049800
Li      -1.26961228       0.09094690       2.43642778       0.61053700       0.40681100
Li       0.89342053       0.47362810      -2.32185022       0.39731500       0.32005000
H        0.77327067       1.50018040      -1.35389433      -0.47196600      -0.31931400
Li       1.26070973       0.63218307       0.52999266       0.45401400       0.24856900
H        1.00671050       0.76981204       2.42151667      -0.43138300      -0.33102000
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.24616 -0.18034 0.27155" energy=-880.4004669698113 pbc="F F F"
H       -0.00354348      -1.45152575      -2.24603878      -0.45374200      -0.30489100
Li      -1.05532255      -1.23984840      -0.61937208       0.56073200       0.29127000
H       -1.00931223      -0.77455964       1.05486609      -0.65904800      -0.30313400
Li      -1.28016620       0.10880856       2.41575676       0.60416500       0.40315500
Li       0.91645640       0.46409460      -2.31046744       0.39497200       0.29881200
H        0.79668722       1.50760882      -1.44087397      -0.47783000      -0.32761800
Li       1.31306773       0.66328430       0.54358580       0.47066700       0.27055600
H        0.94572655       0.74368195       2.42892067      -0.43991700      -0.32810200
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.18127 -0.28487 0.44287" energy=-880.4839275613932 pbc="F F F"
H        0.04683938      -1.36416252      -2.25035478      -0.47135200      -0.30545400
Li      -1.11401816      -1.28405137      -0.60250767       0.58591700       0.30249100
H       -1.06436742      -0.80399525       0.98426151      -0.66108500      -0.30685600
Li      -1.28746433       0.12745874       2.39514999       0.59879300       0.39872700
Li       0.93866029       0.44699247      -2.30470727       0.38350000       0.27745400
H        0.82390042       1.54809609      -1.47970366      -0.46992600      -0.32907600
Li       1.36379759       0.69550836       0.55785759       0.48522500       0.28799100
H        0.87540410       0.71708270       2.43051835      -0.45107300      -0.32525400
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.1042 -0.41574 0.55128" energy=-880.6546810059848 pbc="F F F"
H        0.09607302      -1.26749365      -2.24515144      -0.49009800      -0.30815600
Li      -1.17143246      -1.32850466      -0.58778849       0.61112800       0.31562900
H       -1.12763355      -0.83402216       0.91510199      -0.66498900      -0.31186700
Li      -1.29143511       0.14646300       2.37400043       0.59578400       0.39297700
Li       0.95990835       0.42279524      -2.30389253       0.37054600       0.25824900
H        0.85648050       1.62074231      -1.47412956      -0.45405300      -0.32443400
Li       1.41271123       0.72879118       0.57261624       0.49605600       0.30045500
H        0.79643014       0.69045537       2.42595145      -0.46437500      -0.32283100
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.01173 -0.56937 0.58461" energy=-880.764621010287 pbc="F F F"
H        0.14186917      -1.16640211      -2.23003665      -0.51006500      -0.31329000
Li      -1.22728297      -1.37325397      -0.57629003       0.63384700       0.33064800
H       -1.19972769      -0.86059486       0.85837942      -0.66942900      -0.31740600
Li      -1.29212955       0.16544685       2.35181446       0.59556100       0.38517900
Li       0.98006208       0.39380752      -2.30631622       0.36687800       0.24451700
H        0.89672066       1.71301229      -1.43536398      -0.43918500      -0.31667600
Li       1.45963035       0.76311752       0.58771657       0.50158100       0.30830800
H        0.71000435       0.66430373       2.41509862      -0.47918800      -0.32124600
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.89963 -0.73543 0.53987" energy=-880.7639890300097 pbc="F F F"
H        0.18118336      -1.06759185      -2.20509209      -0.53158900      -0.32054300
Li      -1.28134505      -1.41839547      -0.56897976       0.65121600       0.34643100
H       -1.28099464      -0.88012871       0.82350096      -0.67193300      -0.32217900
Li      -1.28975058       0.18412380       2.32826297       0.59790400       0.37482400
Li       0.99921956       0.36290624      -2.31031380       0.37675100       0.23898900
H        0.94640737       1.80999287      -1.37453987      -0.42936800      -0.30921700
Li       1.50437106       0.79851915       0.60305347       0.50203800       0.31260000
H        0.61817059       0.63926856       2.39795746      -0.49502000      -0.32090900
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.76384 -0.89802 0.42072" energy=-880.6909667272223 pbc="F F F"
H        0.20956688      -0.98006883      -2.17045278      -0.55402500      -0.32826600
Li      -1.33343139      -1.46395341      -0.56635909       0.66074400       0.36103800
H       -1.37180332      -0.89045284       0.81576105      -0.66996900      -0.32515300
Li      -1.28466508       0.20228395       2.30316576       0.60206500       0.36188100
Li       1.01787072       0.33279139      -2.31475732       0.39812700       0.24233100
H        1.00637033       1.90029594      -1.29951744      -0.42423500      -0.30409900
Li       1.54674743       0.83505538       0.61855146       0.49899600       0.31437100
H        0.52406025       0.61618746       2.37467572      -0.51170300      -0.32208100
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.6029 -1.03992 0.23538" energy=-880.6061385729857 pbc="F F F"
H        0.22107544      -0.91435336      -2.12584743      -0.57464500      -0.33409800
Li      -1.38339593      -1.50972222      -0.56815834       0.66156900       0.37241600
H       -1.47251529      -0.89176678       0.83435085      -0.66215500      -0.32607500
Li      -1.27744239       0.21975738       2.27646003       0.60669100       0.34689300
Li       1.03685842       0.30578882      -2.31906152       0.42574200       0.25318900
H        1.07671310       1.97680242      -1.21516935      -0.42223000      -0.30178600
Li       1.58658548       0.87279258       0.63415611       0.49420900       0.31418500
H        0.43218439       0.59618390       2.34558455      -0.52918100      -0.32467800
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.42 -1.14584 -0.00206" energy=-880.565363770511 pbc="F F F"
H        0.20980682      -0.87922618      -2.07041968      -0.58914300      -0.33596800
Li      -1.43116438      -1.55523022      -0.57341940       0.65495900       0.37909200
H       -1.58321132      -0.88676956       0.87297918      -0.64876500      -0.32546200
Li      -1.26889761       0.23639545       2.24817904       0.61004600       0.33094900
Li       1.05708425       0.28358365      -2.32300861       0.45296600       0.26932000
H        1.15712362       2.03540159      -1.12473278      -0.42233900      -0.30189200
Li       1.62373292       0.91177472       0.64984653       0.48937600       0.31217800
H        0.34878000       0.58071937       2.31117420      -0.54710000      -0.32820100
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.47535 1.0862 -0.53598" energy=-878.7238349779428 pbc="F F F"
H        0.16734294      -1.24106355      -3.62969114      -0.42955600      -0.34037300
Li      -0.02931807      -1.17239550      -1.23615055       0.50645600       0.22457900
H       -0.08446125      -1.34910627       1.36087821      -0.52317600      -0.29798700
Li      -0.10017697      -1.08635145       3.67334769       0.44178000       0.33097600
Li       0.05092881       1.20044578      -3.70718280       0.51292700       0.42330100
H        0.10038001       0.80708666      -1.23281767      -0.57285200      -0.29171600
Li       0.02493330       1.16262597       1.23491414       0.50417600       0.29080400
H        0.18599662       1.06481520       3.74309510      -0.43975400      -0.33955500
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.22343 -1.20517 -0.27274" energy=-880.5864304776189 pbc="F F F"
H        0.17316884      -0.87718970      -2.00364451      -0.59494700      -0.33302000
Li      -1.47676017      -1.59987053      -0.58090141       0.64322100       0.38025900
H       -1.70344042      -0.87956837       0.92290595      -0.63107600      -0.32414300
Li      -1.26011305       0.25205015       2.21843074       0.61033900       0.31539200
Li       1.07899921       0.26673282      -2.32648757       0.47527600       0.28879800
H        1.24697470       2.07395261      -1.03073354      -0.42430400      -0.30376800
Li       1.65808135       0.95200174       0.66563960       0.48578300       0.30814100
H        0.28186941       0.57155095       2.27201896      -0.56429300      -0.33164200
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.02503 -1.21406 -0.55627" energy=-880.642251316803 pbc="F F F"
H        0.11387736      -0.90324790      -1.92667015      -0.59358900      -0.32634000
Li      -1.52029447      -1.64306320      -0.58944200       0.62863700       0.37585700
H       -1.83215657      -0.87417638       0.97596217      -0.61101200      -0.32282000
Li      -1.25231762       0.26655790       2.18734510       0.60625400       0.30145400
Li       1.10229853       0.25457777      -2.32924395       0.49272800       0.31079100
H        1.34538053       2.09182869      -0.93559758      -0.42839800      -0.30698600
Li       1.68957914       0.99340227       0.68162096       0.48421300       0.30184100
H        0.24025666       0.57048173       2.22862290      -0.57883300      -0.33377100
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.16192 -1.177 -0.83351" energy=-880.7030736051466 pbc="F F F"
H        0.03851550      -0.94831464      -1.84256970      -0.58865300      -0.31842300
Li      -1.56193722      -1.68436530      -0.59813715       0.61290800       0.36673300
H       -1.96782714      -0.87344676       1.02625598      -0.59045600      -0.32183900
Li      -1.24655201       0.27977402       2.15504154       0.59731000       0.29007300
Li       1.12613688       0.24580736      -2.33081206       0.50787300       0.33521100
H        1.45119583       2.08964221      -0.84217008      -0.43529000      -0.31146200
Li       1.71824954       1.03580958       0.69797792       0.48508500       0.29330900
H        0.23096648       0.57878782       2.18125403      -0.58877600      -0.33357800
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.32443 -1.10422 -1.08822" energy=-880.7488947252814 pbc="F F F"
H       -0.04561892      -1.00363047      -1.75539630      -0.58333000      -0.31180900
Li      -1.60190749      -1.72350236      -0.60634223       0.59710200       0.35449700
H       -2.10832656      -0.87860526       1.07053348      -0.57056400      -0.32134100
Li      -1.24330420       0.29160014       2.12159677       0.58444900       0.28206000
Li       1.14961163       0.23915235      -2.33063980       0.52296900       0.36164600
H        1.56303187       2.06909608      -0.75417835      -0.44548600      -0.31704600
Li       1.74419534       1.07894146       0.71503092       0.48855200       0.28287800
H        0.25633888       0.59670157       2.12997272      -0.59369100      -0.33085100
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.45248 -1.00722 -1.30661" energy=-880.7493295092155 pbc="F F F"
H       -0.13246007      -1.06281696      -1.66912161      -0.57919500      -0.30815600
Li      -1.64048709      -1.76035080      -0.61358361       0.58141600       0.34091900
H       -2.25082846      -0.88945473       1.10746534      -0.55160100      -0.32126800
Li      -1.24232805       0.30202007       2.08704107       0.56983200       0.27813100
Li       1.17206886       0.23370493      -2.32823713       0.53900900       0.38881700
H        1.67937796       2.03307990      -0.67669402      -0.45917900      -0.32326900
Li       1.76759079       1.12237617       0.73328095       0.49488500       0.27121800
H        0.31254073       0.62317235       2.07485942      -0.59516800      -0.32636800
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.5398 -0.89511 -1.47567" energy=-880.6788175768455 pbc="F F F"
H       -0.21739376      -1.12169145      -1.58722424      -0.57632500      -0.30798300
Li      -1.67802970      -1.79491183      -0.61949052       0.56529200       0.32760400
H       -2.39186499      -0.90480715       1.13686289      -0.53322600      -0.32162500
Li      -1.24290680       0.31107042       2.05135670       0.55566900       0.27883400
Li       1.19314821       0.22891124      -2.32322073       0.55537600       0.41449500
H        1.79887652       1.98556851      -0.61653169      -0.47569200      -0.32904100
Li       1.78866560       1.16556227       0.75343102       0.50469900       0.25934600
H        0.39124664       0.65622090       2.01648551      -0.59579300      -0.32164400
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.58489 -0.77357 -1.58481" energy=-880.5524876475477 pbc="F F F"
H       -0.29664574      -1.17736656      -1.51266760      -0.57396600      -0.31066800
Li      -1.71496489      -1.82729424      -0.62375700       0.54804100       0.31561200
H       -2.52765559      -0.92295496       1.15912178      -0.51519500      -0.32228700
Li      -1.24423662       0.31880027       2.01449266       0.54351800       0.28405000
Li       1.21271160       0.22445593      -2.31530386       0.57034300       0.43595100
H        1.92072040       1.93081668      -0.58156454      -0.49321800      -0.33290800
Li       1.80766791       1.20793901       0.77625946       0.51828800       0.24854100
H        0.48237514       0.69344076       1.95620414      -0.59781100      -0.31829200
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.5353 1.23031 -0.64379" energy=-878.9502369442015 pbc="F F F"
H        0.19191791      -1.18556306      -3.57796391      -0.42982900      -0.33711100
Li      -0.03387999      -1.15275744      -1.23565245       0.51700000       0.22573400
H       -0.10239077      -1.34914991       1.39047604      -0.52064600      -0.29851900
Li      -0.11778273      -1.04611019       3.65017695       0.43490800       0.31887900
Li       0.06112011       1.17908353      -3.69064903       0.51372300       0.42585400
H        0.11395430       0.73317580      -1.22569014      -0.57872700      -0.29396800
Li       0.03022520       1.13885300       1.23384454       0.50754100       0.29813400
H        0.21179908       0.98175719       3.70427232      -0.44396900      -0.33898700
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.58257 1.33715 -0.75522" energy=-879.1957485631475 pbc="F F F"
H        0.21316986      -1.11387223      -3.52017959      -0.43164500      -0.33389100
Li      -0.03800964      -1.13206365      -1.23590182       0.52907700       0.22976000
H       -0.12147068      -1.34263629       1.42273279      -0.51831800      -0.29917000
Li      -0.13481682      -1.00343746       3.62419929       0.43074000       0.30826500
Li       0.07162102       1.15364725      -3.67145503       0.51458200       0.42756200
H        0.12521953       0.66946353      -1.21490720      -0.58442800      -0.29690100
Li       0.03579658       1.11238050       1.23338362       0.51048300       0.30438000
H        0.23341613       0.88837939       3.65504353      -0.45049100      -0.33999900
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.61735 1.396 -0.87024" energy=-879.4284949524402 pbc="F F F"
H        0.23073971      -1.02709125      -3.45833101      -0.43601400      -0.33147600
Li      -0.04169090      -1.11067445      -1.23690725       0.54223900       0.23692500
H       -0.14194648      -1.32974439       1.45697209      -0.51630600      -0.29990600
Li      -0.15126930      -0.95889522       3.59540834       0.43037400       0.30003000
Li       0.08246280       1.12411647      -3.64958452       0.51655100       0.42866200
H        0.13417648       0.61999952      -1.19910905      -0.58974600      -0.29990800
Li       0.04166454       1.08304646       1.23354593       0.51298800       0.30874400
H        0.25093917       0.78951744       3.59660919      -0.46008700      -0.34308300
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.64102 1.39625 -0.98812" energy=-879.6296907185401 pbc="F F F"
H        0.24437183      -0.92716999      -3.39466641      -0.44427700      -0.33082000
Li      -0.04493283      -1.08897895      -1.23866126       0.55576100       0.24727400
H       -0.16409192      -1.31092347       1.49215673      -0.51475500      -0.30066800
Li      -0.16723102      -0.91335896       3.56381676       0.43458900       0.29475800
Li       0.09366569       1.09060163      -3.62501387       0.52102900       0.42962100
H        0.14097800       0.58889939      -1.17676617      -0.59415300      -0.30222500
Li       0.04783693       1.05070473       1.23433598       0.51501100       0.31011800
H        0.26523900       0.69240737       3.53039239      -0.47320500      -0.34809100
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.034 0.07529 -0.03305" energy=-878.3433264304307 pbc="F F F"
H        0.01135868      -1.26365867      -3.75150239      -0.43579100      -0.34523300
Li      -0.00195545      -1.24668729      -1.24865400       0.48356500       0.24638600
H       -0.00502448      -1.26010670       1.25517490      -0.53599600      -0.29681900
Li      -0.00641097      -1.24247929       3.74752295       0.48660900       0.38957100
Li       0.00309722       1.24988995      -3.74960736       0.49196000       0.39555000
H        0.00698229       1.22323074      -1.24877047      -0.53919300      -0.29581400
Li       0.00147330       1.24628178       1.24862457       0.48505800       0.25119200
H        0.01281786       1.25230470       3.75965166      -0.43621200      -0.34487000
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.6562 1.32901 -1.10695" energy=-879.7807799020968 pbc="F F F"
H        0.25399573      -0.81744040      -3.33154818      -0.45798500      -0.33282300
Li      -0.04776415      -1.06731553      -1.24113561       0.56866500       0.26056200
H       -0.18825474      -1.28692231       1.52692388      -0.51391500      -0.30147100
Li      -0.18297056      -0.86817637       3.52948385       0.44325100       0.29252600
Li       0.10522928       1.05343438      -3.59772930       0.52971200       0.43111400
H        0.14586879       0.57966161      -1.14620172      -0.59693800      -0.30313900
Li       0.05431359       1.01524728       1.23573962       0.51626500       0.30708500
H        0.27854025       0.60770033       3.45784137      -0.48905400      -0.35387200
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.66611 1.19071 -1.22399" energy=-879.8854970780835 pbc="F F F"
H        0.25976300      -0.70317173      -3.27103023      -0.47896400      -0.33796000
Li      -0.05021109      -1.04584248      -1.24428827       0.57997100       0.27610000
H       -0.21488233      -1.25892884       1.55961577      -0.51405600      -0.30243700
Li      -0.19898864      -0.82510051       3.49258772       0.45379800       0.29288100
Li       0.11712245       1.01326913      -3.56775604       0.54455100       0.43392300
H        0.14906079       0.59408038      -1.10577394      -0.59747900      -0.30223400
Li       0.06109177       0.97663963       1.23771748       0.51636300       0.29821600
H        0.29478814       0.54895022       3.37995553      -0.50418500      -0.35849900
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.67346 0.98636 -1.33775" energy=-879.9857482652313 pbc="F F F"
H        0.26215925      -0.59277177      -3.21415734      -0.50828700      -0.34574800
Li      -0.05228378      -1.02445190      -1.24804956       0.58866100       0.29264200
H       -0.24451603      -1.22856941       1.58841526      -0.51541900      -0.30380600
Li      -0.21592958      -0.78583396       3.45345709       0.46063900       0.29519100
Li       0.12926754       0.97127374      -3.53522657       0.56725700       0.43867000
H        0.15063368       0.63148242      -1.05429381      -0.59565000      -0.29959600
Li       0.06817184       0.93495788       1.24020495       0.51535500       0.28262000
H        0.31899636       0.52927972       3.29702179      -0.51255700      -0.35998400
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.67962 0.73241 -1.45004" energy=-880.1051371772036 pbc="F F F"
H        0.26212102      -0.49971459      -3.15990996      -0.54385000      -0.35424900
Li      -0.05396521      -1.00278118      -1.25233766       0.59316800       0.30820200
H       -0.27776689      -1.19775367       1.61152670      -0.51811000      -0.30572900
Li      -0.23423698      -0.75117221       3.41249986       0.45936900       0.29915100
Li       0.14151881       0.92941473      -3.50048677       0.59753300       0.44556100
H        0.15050973       0.68873516      -0.99137128      -0.59203300      -0.29580200
Li       0.07555677       0.89042027       1.24308715       0.51376400       0.26046500
H        0.35483710       0.55514353       3.20922649      -0.50984000      -0.35761600
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.68481 0.45527 -1.56445" energy=-880.2345035240318 pbc="F F F"
H        0.26096687      -0.44243976      -3.10457502      -0.57797800      -0.36041600
Li      -0.05522129      -0.98030870      -1.25702710       0.59207100       0.32039400
H       -0.31523769      -1.16856378       1.62720303      -0.52210200      -0.30803800
Li      -0.25380613      -0.72049348       3.37007117       0.45165300       0.30488100
Li       0.15367210       0.89044773      -3.46417824       0.62961000       0.45408100
H        0.14853011       0.76084638      -0.91789470      -0.58767400      -0.29167000
Li       0.08324872       0.84340988       1.24616638       0.51214400       0.23315100
H        0.40218884       0.62257316       3.11796148      -0.49772400      -0.35239300
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.68824 0.18536 -1.68303" energy=-880.407952309199 pbc="F F F"
H        0.25984967      -0.43885976      -3.04287939      -0.59904500      -0.36196800
Li      -0.05602319      -0.95652152      -1.26191120       0.58551800       0.32733200
H       -0.35736918      -1.14282833       1.63399510      -0.52713400      -0.31024800
Li      -0.27402026      -0.69220381       3.32640630       0.44276000       0.31239000
Li       0.16554971       0.85713716      -3.42711217       0.65203600       0.46343400
H        0.14456199       0.84203040      -0.83623133      -0.58335500      -0.28789000
Li       0.09123498       0.79445026       1.24913072       0.51080400       0.20313800
H        0.45733812       0.71995238       3.02646000      -0.48158500      -0.34619300
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.68823 -0.05049 -1.80126" energy=-880.6345222125129 pbc="F F F"
H        0.25897718      -0.49508185      -2.97212968      -0.60036800      -0.35882600
Li      -0.05637931      -0.93107251      -1.26663899       0.57484500       0.32817600
H       -0.40427904      -1.12180754       1.63083072      -0.53250800      -0.31173900
Li      -0.29412295      -0.66463892       3.28172259       0.43604200       0.32101600
Li       0.17712996       0.83064729      -3.38978073       0.65689900       0.47305200
H        0.13857612       0.92671346      -0.75003191      -0.57910300      -0.28462100
Li       0.09946830       0.74413705       1.25154034       0.50953200       0.17329700
H        0.51554880       0.83425725       2.93925554      -0.46534000      -0.34033900
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.68189 -0.23343 -1.90532" energy=-880.7900822521815 pbc="F F F"
H        0.25772845      -0.60013885      -2.89596726      -0.58580200      -0.35282100
Li      -0.05637057      -0.90386097      -1.27057707       0.56070500       0.32310200
H       -0.45572207      -1.10618494       1.61700065      -0.53708200      -0.31197700
Li      -0.31350001      -0.63656132       3.23634860       0.43237200       0.32952600
Li       0.18855974       0.80981640      -3.35198851       0.64760600       0.48249900
H        0.13068228       1.00998591      -0.66391965      -0.57412300      -0.28145400
Li       0.10786538       0.69306429       1.25287846       0.50622400       0.14617600
H        0.57297736       0.95480896       2.86091141      -0.44990000      -0.33506500
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.66568 -0.3554 -1.97531" energy=-880.7578452536409 pbc="F F F"
H        0.25584585      -0.73357008      -2.82390786      -0.56226800      -0.34595300
Li      -0.05619050      -0.87501402      -1.27265627       0.54299000       0.31318300
H       -0.51102194      -1.09601421       1.59247185      -0.53943600      -0.31069300
Li      -0.33178151      -0.60726388       3.19070157       0.43172000       0.33665900
Li       0.20002436       0.79223348      -3.31309638       0.63178300       0.49077400
H        0.12109797       1.08774536      -0.58305787      -0.56687600      -0.27774400
Li       0.11634018       0.64178030       1.25267677       0.49571600       0.12353100
H        0.62708996       1.07413344       2.79472958      -0.43362900      -0.32980200
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.63734 -0.4179 -1.99323" energy=-880.5598459857915 pbc="F F F"
H        0.25419750      -0.87678017      -2.76782483      -0.53243200      -0.33868100
Li      -0.05615726      -0.84474510      -1.27139808       0.52094600       0.29967200
H       -0.56912194      -1.09075856       1.55804929      -0.53797200      -0.30789100
Li      -0.34881278      -0.57645523       3.14522175       0.43381300       0.34172700
Li       0.21164759       0.77574320      -3.27253935       0.61353900       0.49608800
H        0.11014374       1.15672137      -0.51255986      -0.55557800      -0.27303700
Li       0.12488229       0.59081993       1.25065711       0.47226600       0.10622600
H        0.67598569       1.18699012       2.74170677      -0.41458100      -0.32410500
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.13455 0.29845 -0.13173" energy=-878.3337848805086 pbc="F F F"
H        0.04521337      -1.29335998      -3.74832915      -0.43390100      -0.34620000
Li      -0.00779318      -1.23546838      -1.24496894       0.48392700       0.23976100
H       -0.02015255      -1.28795509       1.27164431      -0.53372700      -0.29693100
Li      -0.02560908      -1.21768068       3.73822799       0.47803100       0.37937500
Li       0.01241014       1.24726183      -3.74657178       0.49902300       0.40322800
H        0.02776208       1.14103285      -1.24563097      -0.54660000      -0.29327700
Li       0.00591448       1.23381668       1.24483358       0.48877300       0.25883800
H        0.05098531       1.24799030       3.78069395      -0.43552600      -0.34481500
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.59665 -0.42914 -1.9507" energy=-880.2992963364604 pbc="F F F"
H        0.25412462      -1.01782720      -2.73698232      -0.49547100      -0.33033200
Li      -0.05661000      -0.81317881      -1.26541515       0.49125200       0.28357700
H       -0.62867102      -1.08959993       1.51530912      -0.53142500      -0.30380400
Li      -0.36459876      -0.54409903       3.10033404       0.43704600       0.34464700
Li       0.22348806       0.75898287      -3.23006668       0.59450700       0.49677500
H        0.09819878       1.21431073      -0.45703693      -0.53963200      -0.26730700
Li       0.13360777       0.54080332       1.24671065       0.43611400       0.09445400
H        0.71776021       1.28894172       2.70068820      -0.39239100      -0.31800600
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.54555 -0.40132 -1.84884" energy=-880.0465188314785 pbc="F F F"
H        0.25620572      -1.15026866      -2.73371360      -0.45168900      -0.32042000
Li      -0.05776392      -0.78040343      -1.25409281       0.44925600       0.26603500
H       -0.68806342      -1.09142102       1.46642157      -0.51986300      -0.29871300
Li      -0.37928508      -0.51034775       3.05644054       0.43947700       0.34577900
Li       0.23557134       0.74127224      -3.18571606       0.57637800       0.49212400
H        0.08570310       1.25842992      -0.42004998      -0.52026200      -0.26092800
Li       0.14274183       0.49244691       1.24074295       0.39533200       0.08794600
H        0.75054601       1.37592070       2.66930653      -0.36862900      -0.31183200
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.48722 -0.34555 -1.69449" energy=-879.8119579115357 pbc="F F F"
H        0.25980026      -1.26958481      -2.75286938      -0.40683600      -0.30978900
Li      -0.05966343      -0.74670679      -1.23778907       0.39664700       0.24860100
H       -0.74553011      -1.09491010       1.41386782      -0.50515800      -0.29296200
Li      -0.39313123      -0.47547783       3.01393794       0.44037900       0.34570100
Li       0.24791113       0.72234765      -3.13970337       0.56130900       0.48263200
H        0.07316926       1.28732360      -0.40393670      -0.50003500      -0.25448100
Li       0.15257173       0.44651825       1.23252918       0.35978000       0.08628200
H        0.77272309       1.44426645       2.64503708      -0.34608700      -0.30600600
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.42499 -0.26942 -1.49779" energy=-879.5995316248654 pbc="F F F"
H        0.26359497      -1.37106741      -2.78549156      -0.36930500      -0.30008900
Li      -0.06226760      -0.71266764      -1.21740257       0.34340800       0.23283200
H       -0.79923327      -1.09868065       1.36005201      -0.49004200      -0.28700800
Li      -0.40647660      -0.43981072       2.97325239       0.43999700       0.34504400
Li       0.26051813       0.70215729      -3.09232779       0.55042500       0.46963000
H        0.06119783       1.29945544      -0.40987464      -0.48231300      -0.24865700
Li       0.16340469       0.40375196       1.22167470       0.33553700       0.08907600
H        0.78303204       1.49091732       2.62572546      -0.32770600      -0.30084500
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.36084 -0.1775 -1.26896" energy=-879.4381789909485 pbc="F F F"
H        0.26642228      -1.45020330      -2.82298849      -0.34384300      -0.29272100
Li      -0.06556852      -0.67900589      -1.19381818       0.30009800       0.21986300
H       -0.84734593      -1.10132274       1.30695023      -0.47694600      -0.28125900
Li      -0.41970482      -0.40364980       2.93485123       0.43867500       0.34441700
Li       0.27340179       0.68076271      -3.04391569       0.54271100       0.45464800
H        0.05050056       1.29357585      -0.43807387      -0.47007900      -0.24424500
Li       0.17553599       0.36477359       1.20766812       0.32486100       0.09601500
H        0.78059069       1.51351435       2.60965645      -0.31547600      -0.29672800
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.29546 -0.07318 -1.01648" energy=-879.3673370293103 pbc="F F F"
H        0.26758442      -1.50349394      -2.85884946      -0.33055800      -0.28843600
Li      -0.06963891      -0.64644385      -1.16769596       0.27318000       0.21029500
H       -0.88815498      -1.10154233       1.25613314      -0.46750100      -0.27599100
Li      -0.43321205      -0.36724174       2.89918676       0.43668300       0.34437300
Li       0.28656965       0.65828667      -2.99478267       0.53566700       0.43890300
H        0.04190657       1.26904979      -0.48795861      -0.46489600      -0.24210000
Li       0.18923142       0.33005872       1.18996790       0.32773300       0.10695200
H        0.76490034       1.51045163       2.59550472      -0.31030700      -0.29399700
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.22923 0.04 -0.7464" energy=-879.4144254678027 pbc="F F F"
H        0.26680253      -1.52882448      -2.88858865      -0.32752300      -0.28728200
Li      -0.07462539      -0.61568544      -1.13951666       0.26646500       0.20434300
H       -0.92021164      -1.09826796       1.20872290      -0.46262800      -0.27139900
Li      -0.44737488      -0.33075655       2.86663797       0.43480300       0.34541800
Li       0.30002621       0.63489434      -2.94521329       0.52690900       0.42316400
H        0.03634557       1.22632111      -0.55825108      -0.46710400      -0.24313000
Li       0.20471925       0.29989567       1.16810025       0.34175200       0.12191300
H        0.73586156       1.48099438       2.58230589      -0.31267600      -0.29302700
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.16331 0.15725 -0.46297" energy=-879.5796156204958 pbc="F F F"
H        0.26408653      -1.52534298      -2.90916428      -0.33266400      -0.28891000
Li      -0.08073251      -0.58748225      -1.10969573       0.28254100       0.20212000
H       -0.94242258      -1.09070788       1.16528754      -0.46277100      -0.26760100
Li      -0.46252756      -0.29429457       2.83746651       0.43534300       0.34806200
Li       0.31377185       0.61076341      -2.89545993       0.51556300       0.40788600
H        0.03484577       1.16744256      -0.64684060      -0.47653300      -0.24814500
Li       0.22217300       0.27438201       1.14174281       0.36151800       0.14096100
H        0.69385499       1.42541575       2.56935572      -0.32299700      -0.29438200
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.10048 0.27126 -0.17026" energy=-879.826739344809 pbc="F F F"
H        0.25961844      -1.49343342      -2.91860923      -0.34409900      -0.29280600
Li      -0.08822106      -0.56275794      -1.07865883       0.32004400       0.20363300
H       -0.95408437      -1.07835770       1.12589067      -0.46807200      -0.26466700
Li      -0.47897528      -0.25795671       2.81177436       0.44274300       0.35285800
Li       0.32780737       0.58607414      -2.84578052       0.50359800       0.39331800
H        0.03855278       1.09693515      -0.75048527      -0.49288700      -0.25744000
Li       0.24170242       0.25344619       1.11078252       0.37999400       0.16391200
H        0.63998515       1.34538042       2.55616433      -0.34132000      -0.29882000
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.04593 0.37123 0.12504" energy=-880.0868573664001 pbc="F F F"
H        0.25366655      -1.43486360      -2.91574147      -0.35977400      -0.29847900
Li      -0.09742198      -0.54280540      -1.04688205       0.36976100       0.20858000
H       -0.95493571      -1.06102122       1.09010171      -0.47807500      -0.26256000
Li      -0.49702510      -0.22193799       2.78949287       0.46175700       0.36029300
Li       0.34214543       0.56102980      -2.79650811       0.49589000       0.37965600
H        0.04875128       1.02307433      -0.86448889      -0.51508300      -0.27057200
Li       0.26335682       0.23689172       1.07535065       0.39279400       0.18991800
H        0.57640385       1.24438157       2.54242386      -0.36727100      -0.30697700
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.23115 0.51517 -0.23042" energy=-878.3575334247325 pbc="F F F"
H        0.07829008      -1.30599410      -3.73391777      -0.43240100      -0.34619000
Li      -0.01352696      -1.22235180      -1.24183548       0.48638400       0.23391600
H       -0.03548823      -1.31146860       1.29000108      -0.53118900      -0.29707900
Li      -0.04468177      -1.18958342       3.72615670       0.46892900       0.36821800
Li       0.02179789       1.24111286      -3.74078010       0.50466100       0.40981600
H        0.04793428       1.05672949      -1.24304417      -0.55368500      -0.29142400
Li       0.01043073       1.21932923       1.24155082       0.49267200       0.26676000
H        0.08813477       1.22676725       3.78960155      -0.43537200      -0.34401700
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.00703 0.44368 0.41035" energy=-880.2747919457846 pbc="F F F"
H        0.24651188      -1.35300494      -2.90007799      -0.37724100      -0.30550700
Li      -0.10876707      -0.52929649      -1.01480670       0.41588400       0.21618800
H       -0.94522265      -1.03885521       1.05695531      -0.49154600      -0.26126200
Li      -0.51707149      -0.18665911       2.77040676       0.49331500       0.37043000
Li       0.35683379       0.53587619      -2.74813250       0.49819200       0.36712100
H        0.06687534       0.95794112      -0.98299119      -0.54034400      -0.28522300
Li       0.28714545       0.22445336       1.03584112       0.40211800       0.21698400
H        0.50693832       1.12840778       2.52793694      -0.40037700      -0.31857600
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.00683 0.47551 0.66999" energy=-880.3262541251838 pbc="F F F"
H        0.23834768      -1.25330309      -2.87187105      -0.39482300      -0.31361400
Li      -0.12277821      -0.52387168      -0.98271512       0.44404100       0.22500900
H       -0.92576925      -1.01241999       1.02510177      -0.50672200      -0.26083500
Li      -0.53981294      -0.15301885       2.75422747       0.53378400       0.38276700
Li       0.37198847       0.51095395      -2.70138824       0.51347500       0.35569000
H        0.09425612       0.91462365      -1.09944490      -0.56389300      -0.29843300
Li       0.31307056       0.21587985       0.99292646       0.41397900       0.24218400
H        0.43847582       1.00724384       2.51211595      -0.43984100      -0.33257900
8
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.01511 0.45615 0.885" energy=-880.2014196446808 pbc="F F F"
H        0.22907745      -1.14405337      -2.83220974      -0.41294200      -0.32260400
Li      -0.13995564      -0.52729695      -0.95076354       0.45156600       0.23352200
H       -0.89805099      -0.98274871       0.99306745      -0.52275900      -0.26153400
Li      -0.56652207      -0.12258065       2.74071403       0.57704600       0.39615400
Li       0.38786319       0.48675213      -2.65748032       0.54024200       0.34570100
H        0.13107030       0.90174092      -1.20487427      -0.58045100      -0.30735600
Li       0.34117001       0.21101773       0.94751828       0.42886100       0.26187700
H        0.38261040       0.89532690       2.49330228      -0.48156300      -0.34584200
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.26978 0.73699 -0.11929" energy=-1763.232764725208 pbc="F F F"
H        0.18136716      -3.34587051      -2.72303159      -0.37522000      -0.31744700
Li       0.00534138      -2.47782036      -0.76571873       0.54177100       0.19270100
H        0.10017790      -3.04581782       1.05972463      -0.60487300      -0.27786500
Li       0.38311171      -2.81844259       2.62065037       0.61920100       0.40349200
Li       0.04210184      -0.93693638      -3.13167154       0.54413000       0.29602500
H       -0.21369843      -0.56459144      -0.88434265      -0.75005400      -0.23918600
Li       0.07178146      -1.28360410       1.24038799       0.49832800       0.20609000
H        0.11637134      -1.28054807       2.74899095      -0.55635100      -0.32484400
H        0.16241707       0.78969191      -3.01458921      -0.67633900      -0.27716400
Li       0.15720964       0.94206452      -1.07867171       0.79572400       0.19382900
H        0.55893613       0.91347808       1.19508895      -0.54787500      -0.22423500
Li      -0.44109275       1.51830156       2.77203928       0.44418000       0.32698800
Li       0.06239637       2.46397511      -2.60068007       0.64055200       0.44276500
H        0.12938918       2.50156340      -0.72491509      -0.71788400      -0.27558000
Li      -0.27227040       2.66348632       0.93680443       0.51069500       0.17937500
H       -1.09402806       3.54309960       2.39030416      -0.36598400      -0.30492900
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.0972 1.03088 0.16358" energy=-1763.1197675487883 pbc="F F F"
H        0.18640769      -3.32965612      -2.72271930      -0.37488600      -0.31746900
Li       0.00322069      -2.42371014      -0.76283604       0.54321500       0.19486100
H        0.14936424      -3.03657310       1.08287637      -0.60678700      -0.27919800
Li       0.39249072      -2.78933339       2.58390631       0.63807100       0.40346000
Li       0.04318492      -0.92560149      -3.09216722       0.53643600       0.29465500
H       -0.21010494      -0.55110793      -0.93519274      -0.76327200      -0.24317400
Li       0.07426850      -1.24443869       1.23956108       0.49943600       0.20563700
H        0.07452117      -1.28206615       2.65516145      -0.58492700      -0.33388600
H        0.17946997       0.81639471      -2.93314942      -0.69089100      -0.28253000
Li       0.16112774       0.91165569      -1.05448161       0.83033600       0.19451600
H        0.58161154       0.84988715       1.19590491      -0.54446000      -0.21912600
Li      -0.45697125       1.50676248       2.75197281       0.45107300       0.33886500
Li       0.06318246       2.40445012      -2.55220711       0.64960700       0.43467800
H        0.12622997       2.44493970      -0.77364769      -0.72649600      -0.28066800
Li      -0.29291779       2.65857574       0.90323552       0.53556800       0.19975900
H       -1.00203046       3.41097867       2.31383481      -0.39202300      -0.31027200
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.05297 1.31142 0.40962" energy=-1763.1264325052693 pbc="F F F"
H        0.18954319      -3.29059427      -2.71421700      -0.37627000      -0.31701600
Li       0.00120246      -2.37181290      -0.76212496       0.56055300       0.19400400
H        0.19784593      -3.02825051       1.07898192      -0.60729900      -0.27904600
Li       0.40259110      -2.76326635       2.55061238       0.64508600       0.40079100
Li       0.04422330      -0.91629850      -3.05126560       0.52988900       0.29229700
H       -0.21331395      -0.57461124      -0.98191878      -0.76811300      -0.24681100
Li       0.07664659      -1.20058666       1.23231241       0.48207100       0.20288000
H        0.02661623      -1.26949860       2.61054206      -0.59583500      -0.33607100
H        0.19879251       0.84400241      -2.85955293      -0.70533600      -0.28803800
Li       0.16658039       0.87919267      -1.02809170       0.82714600       0.19840400
H        0.59342490       0.79463094       1.20112205      -0.54216900      -0.21633000
Li      -0.47225501       1.49452304       2.73242457       0.46723200       0.35012000
Li       0.06386938       2.34732031      -2.50422068       0.67355700       0.42617200
H        0.11778045       2.41234266      -0.83393869      -0.73164200      -0.28522700
Li      -0.31236201       2.65425525       0.86776579       0.57510300       0.22411100
H       -0.90755796       3.26288327       2.24140135      -0.43397100      -0.32030400
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.17084 1.56087 0.59859" energy=-1763.3052743643398 pbc="F F F"
H        0.19071477      -3.22881282      -2.69779544      -0.37908900      -0.31600000
Li      -0.00059817      -2.32262783      -0.76353342       0.59586700       0.19021800
H        0.24525560      -3.01980386       1.04353344      -0.60524000      -0.27674400
Li       0.41348058      -2.74007970       2.52136347       0.63854200       0.39573800
Li       0.04525221      -0.90885871      -3.00908538       0.52523900       0.28837400
H       -0.22461416      -0.63322340      -1.02358079      -0.76438900      -0.25085700
Li       0.07918091      -1.15222090       1.21773700       0.44272200       0.19784000
H       -0.02992907      -1.24438518       2.62281263      -0.58443500      -0.33013700
H        0.22137309       0.86207489      -2.79837606      -0.71657400      -0.29259800
Li       0.17376013       0.84463249      -0.99916508       0.78641800       0.20452900
H        0.59461075       0.74856200       1.20748033      -0.54028300      -0.21560700
Li      -0.48668036       1.48118807       2.71327409       0.49348900       0.35851200
Li       0.06432853       2.29391001      -2.45752665       0.70921400       0.41833500
H        0.10320918       2.40541576      -0.89611617      -0.73411800      -0.28879000
Li      -0.32993675       2.64977420       0.82928143       0.62040100       0.24986200
H       -0.81687274       3.10691820       2.18164777      -0.48776500      -0.33278400
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.24862 1.75197 0.71266" energy=-1763.5360179538786 pbc="F F F"
H        0.19001113      -3.14500713      -2.67415432      -0.38311500      -0.31430500
Li      -0.00204311      -2.27695817      -0.76704089       0.64754800       0.18461900
H        0.29197706      -3.00905797       0.97836549      -0.60079900      -0.27209700
Li       0.42502644      -2.71941799       2.49605201       0.62017600       0.38939800
Li       0.04630162      -0.90325796      -2.96582524       0.52226000       0.28268300
H       -0.24404319      -0.71641930      -1.05908710      -0.75525700      -0.25636200
Li       0.08203245      -1.09979003       1.19693257       0.39262500       0.19163100
H       -0.09649602      -1.20963743       2.68484493      -0.55716600      -0.31719800
H        0.24857549       0.86005598      -2.75325381      -0.72076800      -0.29478300
Li       0.18263977       0.80778203      -0.96734096       0.71970500       0.21145800
H        0.58602666       0.71204493       1.21112192      -0.54018100      -0.21661400
Li      -0.49996223       1.46598447       2.69458021       0.52678800       0.36156700
Li       0.06436895       2.24556799      -2.41341802       0.74715100       0.41181400
H        0.08205026       2.42223108      -0.94804463      -0.73596200      -0.29070100
Li      -0.34506400       2.64455364       0.78638855       0.65821100       0.27340700
H       -0.73657458       2.95346846       2.14485275      -0.54121600      -0.34459200
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.28004 1.8451 0.74122" energy=-1763.672473275699 pbc="F F F"
H        0.18770528      -3.04062887      -2.64439189      -0.38830400      -0.31198100
Li      -0.00291580      -2.23614236      -0.77258720       0.70794100       0.17900200
H        0.33868495      -2.99291477       0.89098366      -0.59527200      -0.26575400
Li       0.43694041      -2.70080673       2.47397663       0.59543400       0.38377400
Li       0.04739215      -0.89960207      -2.92176214       0.52036900       0.27545900
H       -0.27154029      -0.80609239      -1.08721708      -0.74396100      -0.26331400
Li       0.08508162      -1.04407055       1.17219110       0.34870800       0.18597500
H       -0.17186590      -1.16872664       2.78002289      -0.52547600      -0.30055100
H        0.28181834       0.83124793      -2.72567965      -0.71571000      -0.29382700
Li       0.19303195       0.76854488      -0.93244398       0.64180700       0.21761200
H        0.56917176       0.68520460       1.20816286      -0.54346400      -0.21895300
Li      -0.51180296       1.44751329       2.67672839       0.56233400       0.35792300
Li       0.06381747       2.20307303      -2.37361019       0.77350500       0.40693700
H        0.05419329       2.45852221      -0.97641517      -0.73894200      -0.29053200
Li      -0.35755760       2.63849180       0.73819179       0.68277900       0.29096200
H       -0.67137347       2.81474786       2.13672740      -0.58174800      -0.35273600
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.26402 1.7962 0.68863" energy=-1763.6686992790467 pbc="F F F"
H        0.18434968      -2.91822210      -2.60999540      -0.39531700      -0.30965800
Li      -0.00285695      -2.20209403      -0.77998816       0.76250800       0.17511900
H        0.38594247      -2.96830474       0.79206449      -0.59012100      -0.25901300
Li       0.44887067      -2.68373690       2.45423088       0.57162600       0.38114300
Li       0.04850841      -0.89811340      -2.87723330       0.52049300       0.26728600
H       -0.30836996      -0.87927956      -1.10728118      -0.72922100      -0.26953200
Li       0.08798719      -0.98606298       1.14566598       0.31970900       0.18231800
H       -0.25265308      -1.12519009       2.89139081      -0.49695700      -0.28409100
H        0.32209062       0.77658006      -2.71417018      -0.70215700      -0.29014500
Li       0.20469182       0.72701141      -0.89459068       0.56794600       0.22177700
H        0.54591475       0.66836489       1.19527747      -0.55011600      -0.22237400
Li      -0.52194462       1.42361198       2.66050065       0.59187300       0.34773700
Li       0.06263638       2.16619330      -2.33967628       0.77498600       0.40381700
H        0.01980871       2.50976791      -0.97189632      -0.74249700      -0.28848500
Li      -0.36774673       2.63194298       0.68527537       0.70065500       0.29990800
H       -0.62269255       2.70558796       2.15155457      -0.60341000      -0.35576000
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.39836 0.58758 -0.62793" energy=-1759.3504943313187 pbc="F F F"
H        0.07833473      -3.75194151      -3.59262796      -0.42968300      -0.34219400
Li      -0.00930073      -3.71591929      -1.19928870       0.46091600       0.26234400
H        0.05299287      -3.82818343       1.36877879      -0.52209900      -0.29193500
Li       0.03526092      -3.70515432       3.71911733       0.50994400       0.39168000
Li      -0.00524820      -1.23478942      -3.78636076       0.48881500       0.29368600
H        0.07033682      -1.13360308      -1.14892484      -0.56390800      -0.24883700
Li      -0.02095728      -1.29758370       1.23833424       0.54888000       0.19953100
H        0.16124376      -1.43688825       3.80332816      -0.51277400      -0.29883400
H        0.02077817       1.25995439      -3.59793991      -0.54164500      -0.28793900
Li       0.01583044       1.24648026      -1.25408131       0.58001300       0.17795100
H        0.09454922       1.13158461       1.15689533      -0.57511100      -0.24663200
Li      -0.05819295       1.31272490       3.71535324       0.48352200       0.30473200
Li       0.00709426       3.74993912      -3.74735856       0.56336500       0.45785300
H        0.00837854       3.70204478      -1.26317421      -0.52466000      -0.29069300
Li      -0.01523209       3.68400760       1.26630250       0.45485700       0.25427800
H       -0.13723417       3.78366542       3.60401723      -0.42043300      -0.33511700
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.20882 1.57703 0.57842" energy=-1763.620205574456 pbc="F F F"
H        0.18082644      -2.78188747      -2.57280463      -0.40549000      -0.30882200
Li      -0.00136753      -2.17682210      -0.78895628       0.79198000       0.17419600
H        0.43421205      -2.93317021       0.69290172      -0.58652200      -0.25325600
Li       0.46046871      -2.66771304       2.43603705       0.55419800       0.38289400
Li       0.04956843      -0.89907062      -2.83262111       0.52553500       0.25906600
H       -0.35784657      -0.91355938      -1.11911757      -0.70419200      -0.27198800
Li       0.09032799      -0.92692166       1.11876131       0.30548000       0.18143200
H       -0.33466552      -1.08215245       3.00600146      -0.47393600      -0.27033600
H        0.36976980       0.70498735      -2.71461132      -0.68320600      -0.28495900
Li       0.21739646       0.68348121      -0.85416395       0.50897100       0.22346300
H        0.51841181       0.66253685       1.17018339      -0.55944700      -0.22672000
Li      -0.53028120       1.39175987       2.64687393       0.60194600       0.33241000
Li       0.06095552       2.13389771      -2.31221911       0.75037400       0.40234300
H       -0.02026007       2.57135345      -0.93608882      -0.74652300      -0.28619400
Li      -0.37625885       2.62535262       0.62972565       0.72401600       0.29997300
H       -0.58947374       2.64301286       2.17447192      -0.60318600      -0.35351900
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.12997 1.18612 0.44783" energy=-1763.63106422232 pbc="F F F"
H        0.17836045      -2.63758635      -2.53477936      -0.42035600      -0.31138700
Li       0.00190721      -2.16116637      -0.79943853       0.78550100       0.17721800
H        0.48408949      -2.88697754       0.60414142      -0.58469100      -0.24928500
Li       0.47145797      -2.65233556       2.41885233       0.54473800       0.38906000
Li       0.05038633      -0.90268814      -2.78834687       0.53756600       0.25196300
H       -0.42374410      -0.89673837      -1.12122389      -0.66385400      -0.26885400
Li       0.09167930      -0.86792044       1.09221832       0.30178100       0.18340900
H       -0.41394728      -1.04158768       3.11484963      -0.45611300      -0.26007500
H        0.42499504       0.63021340      -2.72179755      -0.66138200      -0.27938100
Li       0.23099546       0.63848272      -0.81174088       0.46643600       0.22267400
H        0.48886685       0.66974082       1.13203851      -0.57097800      -0.23173600
Li      -0.53694340       1.35048774       2.63637553       0.58287600       0.31402000
Li       0.05897816       2.10502058      -2.29065532       0.71255500       0.40166000
H       -0.06376668       2.63782612      -0.88383058      -0.75341700      -0.28562500
Li      -0.38377135       2.61899815       0.57439265       0.75860300       0.29264100
H       -0.56944374       2.63779016       2.19264432      -0.57926500      -0.34645300
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.04278 0.64232 0.33249" energy=-1763.58728108754 pbc="F F F"
H        0.17858614      -2.49396338      -2.49783812      -0.44141300      -0.31832200
Li       0.00673883      -2.15394770      -0.81184664       0.75211700       0.18490700
H        0.53654850      -2.83053500       0.53508951      -0.58290900      -0.24681100
Li       0.48164550      -2.63729362       2.40236767       0.54180900       0.39852200
Li       0.05063826      -0.90881956      -2.74485854       0.55446200       0.24705300
H       -0.50753998      -0.83339677      -1.10945593      -0.61224400      -0.26025500
Li       0.09164084      -0.81037699       1.06641588       0.30079800       0.18741900
H       -0.48706015      -1.00445480       3.21142946      -0.44184300      -0.25283100
H        0.48834059       0.56611388      -2.73102068      -0.63630500      -0.27380600
Li       0.24546968       0.59284618      -0.76802131       0.43723800       0.21937100
H        0.45932806       0.69271951       1.08147622      -0.58389900      -0.23696100
Li      -0.54222552       1.30066622       2.62865809       0.54166500       0.29499800
Li       0.05686461       2.07870531      -2.27383992       0.67555200       0.39969900
H       -0.10673434       2.70390647      -0.83940441      -0.76244200      -0.28722500
Li      -0.39097381       2.61295239       0.52253097       0.79562200       0.27976500
H       -0.56008051       2.68508432       2.20234371      -0.53820800      -0.33574500
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.04274 -0.01882 0.24645" energy=-1763.3723438601016 pbc="F F F"
H        0.18365783      -2.36409897      -2.46321268      -0.46808400      -0.32814500
Li       0.01223243      -2.15264139      -0.82673938       0.70732900       0.19680800
H        0.59283941      -2.76514056       0.49328358      -0.57789100      -0.24473300
Li       0.49091229      -2.62234497       2.38643740       0.54284300       0.40946700
Li       0.04985578      -0.91636217      -2.70263825       0.57140200       0.24508800
H       -0.60760910      -0.74073316      -1.07952104      -0.55654100      -0.24784200
Li       0.08989471      -0.75551162       1.04159585       0.29368500       0.19189700
H       -0.55121652      -0.97096695       3.29109156      -0.42939300      -0.24752300
H        0.56068214       0.52279644      -2.73858829      -0.60585500      -0.26808400
Li       0.26101049       0.54772787      -0.72392297       0.42007700       0.21363800
H        0.43147860       0.73365163       1.02076431      -0.59706800      -0.24186600
Li      -0.54643800       1.24504592       2.62288655       0.49556700       0.27768700
Li       0.05471879       2.05437900      -2.26074245       0.64694500       0.39398000
H       -0.14440723       2.76678912      -0.82933916      -0.76476600      -0.28958900
Li      -0.39854843       2.60706159       0.47755660       0.81507200       0.26313200
H       -0.55932180       2.76706905       2.20614922      -0.49332300      -0.32390100
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.12122 -0.74834 0.18287" energy=-1763.093296810677 pbc="F F F"
H        0.19632825      -2.26606248      -2.43075139      -0.49345900      -0.33739600
Li       0.01729824      -2.15494387      -0.84416200       0.65723400       0.21093000
H        0.65376938      -2.69140513       0.48292201      -0.56659300      -0.24205400
Li       0.49921350      -2.60730931       2.37104175       0.54616600       0.42014400
Li       0.04746446      -0.92280403      -2.66229399       0.58174300       0.24620500
H       -0.72124109      -0.63828810      -1.03071276      -0.49876900      -0.23357500
Li       0.08623671      -0.70425636       1.01806147       0.27365000       0.19514900
H       -0.60432854      -0.94088961       3.35064382      -0.41835400      -0.24334400
H        0.64242202       0.50402615      -2.74172953      -0.56907700      -0.26192900
Li       0.27808798       0.50445644      -0.68066193       0.41398100       0.20631300
H        0.40635572       0.79271956       0.95428422      -0.60972000      -0.24603400
Li      -0.54984911       1.18660403       2.61837206       0.45753200       0.26364100
Li       0.05260892       2.03163302      -2.25077393       0.62896900       0.38303600
H       -0.17382356       2.82713711      -0.87047529      -0.74895000      -0.29110700
Li      -0.40692543       2.60104462       0.44182507       0.79933600       0.24449400
H       -0.56565131       2.86424405       2.20727249      -0.45368900      -0.31406700
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.18814 -1.49354 0.13274" energy=-1762.8852517459495 pbc="F F F"
H        0.21978560      -2.21923375      -2.39939838      -0.50420600      -0.34253800
Li       0.02109484      -2.15959879      -0.86332566       0.60393300       0.22463900
H        0.71894114      -2.60864475       0.50376360      -0.54779100      -0.23859700
Li       0.50655627      -2.59204040       2.35626652       0.55191300       0.42953500
Li       0.04291869      -0.92462188      -2.62463442       0.57444100       0.24941900
H       -0.84546658      -0.54079316      -0.96599446      -0.43717000      -0.21869800
Li       0.08055788      -0.65717902       0.99633947       0.23537900       0.19582300
H       -0.64491776      -0.91386211       3.38794490      -0.40970300      -0.23996900
H        0.73233738       0.50724204      -2.73791542      -0.52824100      -0.25524100
Li       0.29732783       0.46417692      -0.63994627       0.41305500       0.19847000
H        0.38445981       0.86755430       0.88897928      -0.62058800      -0.24925300
Li      -0.55270064       1.12759547       2.61478807       0.43342300       0.25323400
Li       0.05062096       2.01004568      -2.24385845       0.61939000       0.36683100
H       -0.19583865       2.88709409      -0.95976462      -0.71171300      -0.29140600
Li      -0.41607990       2.59487756       0.41527980       0.74891200       0.22531900
H       -0.57788610       2.96211779       2.20727681      -0.42103400      -0.30775500
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.23879 -2.20768 0.09356" energy=-1762.7356756473764 pbc="F F F"
H        0.25646170      -2.23298389      -2.36999049      -0.49084800      -0.34168200
Li       0.02320782      -2.16635532      -0.88263781       0.55400400       0.23602900
H        0.78639169      -2.51512187       0.55085325      -0.52311300      -0.23500600
Li       0.51296849      -2.57640138       2.34231076       0.56128800       0.43760100
Li       0.03590173      -0.91924427      -2.59043131       0.54220200       0.25333500
H       -0.97574666      -0.45589984      -0.88972534      -0.37250000      -0.20235300
Li       0.07278758      -0.61451418       0.97721618       0.17425500       0.19322400
H       -0.67201741      -0.88967535       3.40163468      -0.40488700      -0.23744700
H        0.82750807       0.52608990      -2.72456540      -0.48735000      -0.24808800
Li       0.31923923       0.42748628      -0.60392142       0.41069700       0.19110100
H        0.36590467       0.95373829       0.83345494      -0.62711200      -0.25089500
Li      -0.55521850       1.06952644       2.61207245       0.42401500       0.24615500
Li       0.04888821       1.98908351      -2.24032231       0.61049600       0.34682900
H       -0.21422237       2.94871753      -1.07771234      -0.65903300      -0.29090400
Li      -0.42570762       2.58904330       0.39582848       0.68280200       0.20679000
H       -0.59505813       3.05159069       2.20640960      -0.39491700      -0.30489100
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.26762 -2.85023 0.06661" energy=-1762.5430212386095 pbc="F F F"
H        0.30634504      -2.29881114      -2.34777539      -0.45759300      -0.33483200
Li       0.02354002      -2.17543593      -0.90000022       0.51233100       0.24368700
H        0.85302449      -2.40904875       0.61548523      -0.49674400      -0.23215700
Li       0.51846556      -2.56025229       2.32951198       0.57531800       0.44494700
Li       0.02657753      -0.90665016      -2.56008342       0.49475600       0.25707700
H       -1.10461596      -0.38602852      -0.80606859      -0.30703600      -0.18562600
Li       0.06282710      -0.57625661       0.96166163       0.08904200       0.18719100
H       -0.68508441      -0.86851335       3.39101303      -0.40536700      -0.23603600
H        0.92389001       0.55299996      -2.69922185      -0.44886900      -0.24031000
Li       0.34401351       0.39444729      -0.57464349       0.40480100       0.18462700
H        0.35065784       1.04557781       0.79514466      -0.62596000      -0.25043800
Li      -0.55760439       1.01343298       2.61027405       0.42545500       0.24188900
Li       0.04758572       1.96813922      -2.24062710       0.59197800       0.32554100
H       -0.23325662       3.01449084      -1.20181337      -0.59867900      -0.29014100
Li      -0.43556587       2.58434198       0.38102474       0.62248400       0.18962800
H       -0.61640101       3.12725032       2.20422841      -0.37591700      -0.30477000
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.27123 -3.39569 0.05536" energy=-1762.258265486551 pbc="F F F"
H        0.36666448      -2.39651257      -2.34002490      -0.41415400      -0.32338900
Li       0.02213133      -2.18706990      -0.91344057       0.47888200       0.24705300
H        0.91575765      -2.28948114       0.68738444      -0.47322100      -0.23048000
Li       0.52302542      -2.54345670       2.31832351       0.59379700       0.45228300
Li       0.01556863      -0.88882187      -2.53365004       0.44638300       0.26020200
H       -1.22268756      -0.33132582      -0.71879388      -0.24434900      -0.17038700
Li       0.05050845      -0.54225217       0.95065555      -0.01638300       0.17771400
H       -0.68396498      -0.85108796       3.35599928      -0.41244400      -0.23605800
H        1.01712816       0.58097837      -2.65984852      -0.41291700      -0.23192700
Li       0.37162246       0.36494988      -0.55337864       0.40368700       0.17837700
H        0.33902973       1.13595776       0.77721959      -0.61530300      -0.24779600
Li      -0.56004504       0.96010344       2.60949046       0.43321100       0.24013600
Li       0.04688483       1.94673318      -2.24501747       0.55616100       0.30530700
H       -0.25623780       3.08702728      -1.31609876      -0.53699000      -0.28890900
Li      -0.44563921       2.58167531       0.36906149       0.57768800       0.17403300
H       -0.64131932       3.18595524       2.20008801      -0.36404900      -0.30632700
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.25235 -3.83528 0.06365" energy=-1761.925409885544 pbc="F F F"
H        0.43306331      -2.50636373      -2.35006126      -0.36838800      -0.30963400
Li       0.01914569      -2.20138531      -0.92183694       0.45180800       0.24692200
H        0.97241410      -2.15658512       0.75631749      -0.45416700      -0.22965300
Li       0.52658205      -2.52590363       2.30924848       0.61453800       0.46001500
Li       0.00366890      -0.86802130      -2.51115385       0.40572900       0.26283100
H       -1.32125544      -0.29133914      -0.63133565      -0.19079800      -0.15682900
Li       0.03560535      -0.51224619       0.94506079      -0.13475200       0.16520600
H       -0.66888107      -0.83872245       3.29714120      -0.42717700      -0.23773300
H        1.10297516       0.60427522      -2.60497521      -0.37959200      -0.22367300
Li       0.40203807       0.33906317      -0.54035900       0.42163800       0.17176000
H        0.33220415       1.21603416       0.77801186      -0.59712400      -0.24362600
Li      -0.56270392       0.91017675       2.60981653       0.44600500       0.24105100
Li       0.04686038       1.92486492      -2.25323520       0.50351400       0.28797100
H       -0.28483082       3.16668837      -1.41367473      -0.47973000      -0.28658400
Li      -0.45613140       2.58193083       0.35885233       0.54652300       0.16032900
H       -0.66941168       3.22620520       2.19340952      -0.35802800      -0.30868300
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.49665 0.76668 -0.81562" energy=-1759.4872190199828 pbc="F F F"
H        0.09879207      -3.72128287      -3.51670956      -0.43225100      -0.33940700
Li      -0.01156025      -3.70200901      -1.18614301       0.46015800       0.26360400
H        0.06579995      -3.84000596       1.41165810      -0.52040200      -0.29243100
Li       0.04624073      -3.68538162       3.70365677       0.49215700       0.37124200
Li      -0.00642272      -1.23183663      -3.79257692       0.49581800       0.30483300
H        0.08736240      -1.10146630      -1.11457318      -0.56077800      -0.24947200
Li      -0.02632484      -1.31119367       1.23418804       0.54641700       0.19875200
H        0.20359960      -1.50377178       3.80977595      -0.50780500      -0.30260500
H        0.02597966       1.27106408      -3.54923128      -0.54591700      -0.28724600
Li       0.02088970       1.24477923      -1.25498663       0.58774400       0.17126800
H        0.11831771       1.09694432       1.13320608      -0.57456900      -0.24621200
Li      -0.07520080       1.33349243       3.70075243       0.48924500       0.31896000
Li       0.00926923       3.74354895      -3.73980324       0.56201200       0.45630700
H        0.01030373       3.68030210      -1.27687721      -0.52399200      -0.29063200
Li      -0.01986596       3.66057267       1.27291485       0.45322400       0.25393400
H       -0.17657797       3.76039076       3.52960057      -0.42106100      -0.33094700
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.21776 -4.16977 0.09659" energy=-1761.6287030435487 pbc="F F F"
H        0.50061403      -2.61440133      -2.37505938      -0.32799200      -0.29623800
Li       0.01492554      -2.21847119      -0.92510902       0.43252200       0.24491700
H        1.02185287      -2.01175281       0.81377917      -0.43835100      -0.22873500
Li       0.52907005      -2.50749509       2.30264045       0.63443400       0.46804300
Li      -0.00842237      -0.84588625      -2.49266726       0.37711900       0.26559700
H       -1.39402759      -0.26565302      -0.54695369      -0.15373500      -0.14639300
Li       0.01786046      -0.48589176       0.94553845      -0.25824900       0.15028200
H       -0.64047732      -0.83342231       3.21571125      -0.44989000      -0.24094800
H        1.17752762       0.61858465      -2.53387715      -0.35141800      -0.21659500
Li       0.43537421       0.31704048      -0.53505329       0.46734700       0.16452700
H        0.33206979       1.27637533       0.79322025      -0.57504100      -0.23881200
Li      -0.56569797       0.86423608       2.61129329       0.46512100       0.24486600
Li       0.04745291       1.90314917      -2.26460615       0.44323000       0.27492000
H       -0.31902706       3.25007350      -1.49435497      -0.43193600      -0.28338100
Li      -0.46738257       2.58589805       0.34979172       0.52306100       0.14905900
H       -0.70042837       3.24755543       2.18379649      -0.35622000      -0.31123700
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.17407 -4.40176 0.16022" energy=-1761.4422816727695 pbc="F F F"
H        0.56442849      -2.71162710      -2.40863219      -0.29829300      -0.28530600
Li       0.00995875      -2.23839840      -0.92383882       0.42320200       0.24244200
H        1.06384078      -1.85801305       0.85407038      -0.42399400      -0.22686500
Li       0.53049010      -2.48808920       2.29854113       0.65107000       0.47599700
Li      -0.02017685      -0.82344321      -2.47823677       0.35988700       0.26897500
H       -1.43739293      -0.25388361      -0.46877055      -0.13585000      -0.14037000
Li      -0.00299191      -0.46276586       0.95244881      -0.37291500       0.13368400
H       -0.59989968      -0.83782789       3.11380007      -0.48004600      -0.24542900
H        1.23734529       0.62107718      -2.44686163      -0.33249300      -0.21168400
Li       0.47185937       0.29907789      -0.53649083       0.53518100       0.15649800
H        0.34023578       1.30995942       0.81809472      -0.55239900      -0.23386000
Li      -0.56909959       0.82286642       2.61390744       0.48952000       0.25161800
Li       0.04852154       1.88257995      -2.27835237       0.38734900       0.26705200
H       -0.35765791       3.33113249      -1.56074659      -0.39658200      -0.28010000
Li      -0.47969187       2.59406611       0.34154618       0.50379200       0.14091000
H       -0.73426744       3.25027169       2.17116710      -0.35742700      -0.31366800
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.12558 -4.53089 0.25679" energy=-1761.3978063634324 pbc="F F F"
H        0.62020301      -2.79238437      -2.44395149      -0.28034500      -0.27799000
Li       0.00477595      -2.26115662      -0.91883340       0.42354600       0.24046600
H        1.09894269      -1.70057475       0.87451418      -0.41085700      -0.22377400
Li       0.53097857      -2.46744525       2.29661490       0.66383900       0.48339500
Li      -0.03123891      -0.80134788      -2.46778504       0.34959200       0.27336500
H       -1.45009879      -0.25559639      -0.39983019      -0.13499900      -0.13874700
Li      -0.02718835      -0.44236788       0.96577530      -0.46103100       0.11647800
H       -0.54889519      -0.85472573       2.99434770      -0.51636300      -0.25095400
H        1.27952147       0.61055744      -2.34555556      -0.32692600      -0.20983200
Li       0.51175156       0.28510672      -0.54343949       0.61668300       0.14795700
H        0.35692198       1.31425775       0.84828780      -0.53216400      -0.22919800
Li      -0.57295019       0.78665610       2.61762196       0.51273500       0.26106300
Li       0.04993788       1.86416684      -2.29380115       0.34280100       0.26471200
H       -0.39905685       3.40331074      -1.61578258      -0.37334400      -0.27772500
Li      -0.49316554       2.60648254       0.33399488       0.48785900       0.13658700
H       -0.77096367       3.23501977       2.15580084      -0.36102400      -0.31581200
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.07476 -4.55574 0.3832" energy=-1761.4708093739732 pbc="F F F"
H        0.66457916      -2.85321182      -2.47565429      -0.27240500      -0.27453200
Li      -0.00015653      -2.28657350      -0.91084532       0.43043800       0.23938400
H        1.12880944      -1.54670827       0.87467708      -0.39958800      -0.21951800
Li       0.53082002      -2.44524110       2.29623814       0.67355700       0.48977700
Li      -0.04137900      -0.78009266      -2.46106697       0.34166700       0.27884200
H       -1.43291250      -0.27027609      -0.34309464      -0.14762200      -0.14128300
Li      -0.05489832      -0.42417046       0.98502867      -0.50300000       0.10031100
H       -0.49001550      -0.88602595       2.86132868      -0.55731600      -0.25785700
H        1.30187112       0.58742080      -2.23336481      -0.33859100      -0.21193200
Li       0.55522163       0.27474570      -0.55438586       0.70578100       0.13958400
H        0.38071964       1.29152167       0.87976557      -0.51727200      -0.22526700
Li      -0.57728103       0.75610986       2.62243114       0.52463600       0.27269500
Li       0.05165148       1.84868678      -2.31043865       0.31042900       0.26761400
H       -0.44155173       3.46115749      -1.66173041      -0.35996200      -0.27667400
Li      -0.50767401       2.62274957       0.32718931       0.47607100       0.13661300
H       -0.81065770       3.20270306       2.13834661      -0.36682300      -0.31751500
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.02454 -4.47765 0.53177" energy=-1761.5825370295454 pbc="F F F"
H        0.69525333      -2.89243071      -2.50019942      -0.27198500      -0.27441700
Li      -0.00447946      -2.31429296      -0.90048947       0.43917200       0.23913500
H        1.15596865      -1.40412297       0.85510887      -0.38973900      -0.21433600
Li       0.53041738      -2.42120608       2.29668068       0.68295100       0.49483500
Li      -0.05046054      -0.76008925      -2.45767901       0.33466300       0.28501600
H       -1.38829284      -0.29729752      -0.30143080      -0.17125600      -0.14743600
Li      -0.08606935      -0.40779191       1.00912999      -0.48382500       0.08717000
H       -0.42705953      -0.93120160       2.72023956      -0.60306900      -0.26706300
H        1.30336672       0.55367972      -2.11616543      -0.37144200      -0.21888000
Li       0.60221484       0.26730965      -0.56749429       0.79728600       0.13233500
H        0.40927658       1.24765069       0.90926082      -0.50984700      -0.22236800
Li      -0.58211903       0.73148686       2.62841231       0.51781100       0.28567900
Li       0.05370312       1.83659729      -2.32786564       0.28853700       0.27484900
H       -0.48367582       3.50092803      -1.70009095      -0.35408000      -0.27696500
Li      -0.52294170       2.64220081       0.32126858       0.46968700       0.14119100
H       -0.85356802       3.15429439       2.11976124      -0.37486500      -0.31859400
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.02082 -4.30441 0.69725" energy=-1761.6113249618054 pbc="F F F"
H        0.71089406      -2.90969321      -2.51569570      -0.27678300      -0.27675300
Li      -0.00794211      -2.34380356      -0.88824241       0.44489900       0.23952800
H        1.18321783      -1.27942399       0.81671308      -0.37972500      -0.20839900
Li       0.53027345      -2.39531907       2.29724173       0.69595800       0.49852400
Li      -0.05841713      -0.74170440      -2.45708189       0.33051000       0.29095600
H       -1.32016344      -0.33596921      -0.27765213      -0.20600400      -0.15655000
Li      -0.12027364      -0.39311489       1.03637994      -0.39386900       0.07887200
H       -0.36547637      -0.98628603       2.57885609      -0.65566400      -0.27899300
H        1.28497287       0.51304907      -2.00379175      -0.42714800      -0.23039300
Li       0.65229905       0.26188967      -0.58046368       0.88091400       0.12726400
H        0.44014729       1.19053521       0.93468180      -0.50987300      -0.22066200
Li      -0.58746512       0.71271200       2.63570608       0.49197700       0.29880300
Li       0.05619555       1.82807544      -2.34573024       0.27556800       0.28485200
H       -0.52417599       3.52036977      -1.73179310      -0.35414700      -0.27848200
Li      -0.53866703       2.66408652       0.31633558       0.46867800       0.15011800
H       -0.89995291       3.09080875       2.10129403      -0.38529000      -0.31887400
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.05587 -4.05232 0.87991" energy=-1761.4687790144187 pbc="F F F"
H        0.71086077      -2.90548621      -2.52142779      -0.28521100      -0.28072600
Li      -0.01037375      -2.37449120      -0.87448670       0.44444900       0.24039500
H        1.21224298      -1.17695842       0.76097589      -0.36880700      -0.20264200
Li       0.53104023      -2.36799156       2.29731145       0.71502900       0.50088700
Li      -0.06523613      -0.72529422      -2.45865093       0.33286200       0.29501400
H       -1.23358584      -0.38555075      -0.27444543      -0.25321400      -0.16704600
Li      -0.15661879      -0.38028682       1.06448149      -0.23775000       0.07634600
H       -0.31265898      -1.04460046       2.44829110      -0.71293000      -0.29235600
H        1.25059703       0.47084996      -1.91160917      -0.49722700      -0.24394400
Li       0.70460050       0.25745250      -0.59045417       0.93900800       0.12502500
H        0.47138267       1.12863820       0.95529361      -0.51401100      -0.22019400
Li      -0.59327707       0.69947740       2.64444919       0.45351200       0.31038900
Li       0.05924623       1.82308306      -2.36370688       0.27005800       0.29533700
H       -0.56202042       3.51853557      -1.75729622      -0.35921700      -0.28102900
Li      -0.55460626       2.68770388       0.31239287       0.47166700       0.16277500
H       -0.95005074       3.01323053       2.08446971      -0.39821900      -0.31822500
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.07382 -3.74315 1.08322" energy=-1761.2642273451977 pbc="F F F"
H        0.69511389      -2.88091274      -2.51762574      -0.29599900      -0.28565500
Li      -0.01167433      -2.40568878      -0.85953073       0.43803800       0.24132200
H        1.24277025      -1.09900371       0.69076250      -0.35943600      -0.19871000
Li       0.53360248      -2.34017904       2.29643462       0.73904800       0.50178400
Li      -0.07095203      -0.71120816      -2.46173317       0.34587400       0.29526200
H       -1.13432120      -0.44528996      -0.29424443      -0.30805100      -0.17739500
Li      -0.19383829      -0.36943204       1.09058186      -0.05617900       0.07893000
H       -0.27756460      -1.09886087       2.34250577      -0.76308300      -0.30426800
H        1.20686192       0.43350672      -1.86046962      -0.55934900      -0.25640300
Li       0.75788269       0.25293396      -0.59411853       0.95419200       0.12516500
H        0.50171056       1.07013239       0.97153704      -0.51738900      -0.22074000
Li      -0.59948406       0.69147106       2.65474013       0.41464400       0.31884800
Li       0.06295146       1.82141982      -2.38150289       0.27148700       0.30408300
H       -0.59641786       3.49564040      -1.77667934      -0.36872900      -0.28439800
Li      -0.57058292       2.71243422       0.30934724       0.47835800       0.17831600
H       -1.00408640       2.92245408       2.07092340      -0.41342500      -0.31658400
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.06844 -3.39791 1.30566" energy=-1761.3062205061615 pbc="F F F"
H        0.66416556      -2.83759980      -2.50527325      -0.30803000      -0.29107100
Li      -0.01180061      -2.43672167      -0.84364940       0.42629400       0.24240000
H        1.27323375      -1.04692296       0.61070520      -0.35851000      -0.19766700
Li       0.53902854      -2.31321759       2.29438808       0.76180900       0.50108100
Li      -0.07567081      -0.69981166      -2.46571352       0.37204400       0.29073800
H       -1.02804426      -0.51437694      -0.33851814      -0.36026900      -0.18716800
Li      -0.23072785      -0.36042883       1.11170656       0.10079600       0.08538800
H       -0.26895981      -1.14339201       2.27463547      -0.79223700      -0.31151400
H        1.15996423       0.40695741      -1.87001319      -0.59257800      -0.26488800
Li       0.81110314       0.24750724      -0.58855183       0.92327200       0.12712600
H        0.53055084       1.02224526       0.98467962      -0.51826000      -0.22211300
Li      -0.60601744       0.68853233       2.66665275       0.38689700       0.32321000
Li       0.06735289       1.82278193      -2.39889372       0.28120100       0.30991700
H       -0.62684209       3.45292704      -1.78967838      -0.38246000      -0.28824300
Li      -0.58649143       2.73776250       0.30705266       0.48963200       0.19609900
H       -1.06223118       2.81924374       2.06207198      -0.42960100      -0.31403600
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.0359 -3.03151 1.54046" energy=-1761.758100937544 pbc="F F F"
H        0.61909824      -2.77767794      -2.48606350      -0.32033500      -0.29669100
Li      -0.01075400      -2.46696090      -0.82709938       0.40988100       0.24392600
H        1.30237780      -1.02251063       0.52725814      -0.37209300      -0.20004400
Li       0.54836947      -2.28835958       2.29113205       0.77425200       0.49867500
Li      -0.07960480      -0.69150503      -2.47008574       0.41090200       0.28134200
H       -0.91967037      -0.59175234      -0.40643696      -0.40592700      -0.19563300
Li      -0.26659807      -0.35296869       1.12550753       0.21973400       0.09433500
H       -0.29352912      -1.17445662       2.25221434      -0.79517100      -0.31270800
H        1.11146920       0.39478752      -1.94448988      -0.59640300      -0.26828100
Li       0.86415550       0.24093003      -0.57337309       0.86108400       0.13091000
H        0.55773394       0.98996427       0.99631926      -0.51797800      -0.22438500
Li      -0.61282675       0.69060512       2.68024548       0.37138300       0.32320800
Li       0.07243136       1.82680000      -2.41577169       0.30124600       0.31250900
H       -0.65309851       3.39260553      -1.79565179      -0.40044700      -0.29214300
Li      -0.60230003       2.76327676       0.30535552       0.50454200       0.21583400
H       -1.12451676       2.70430330       2.05881472      -0.44467100      -0.31083400
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.57904 0.94544 -1.00085" energy=-1759.6716309793494 pbc="F F F"
H        0.11693005      -3.67659892      -3.42887439      -0.43667100      -0.33647000
Li      -0.01342185      -3.68646192      -1.17401433       0.46117000       0.26533700
H        0.07629500      -3.84608764       1.45661535      -0.51884000      -0.29304800
Li       0.05752871      -3.66280283       3.68539625       0.47357600       0.35026800
Li      -0.00730537      -1.22958502      -3.79640500       0.50388000       0.31660600
H        0.10136446      -1.07257164      -1.07851171      -0.55743500      -0.25017700
Li      -0.03100750      -1.32439016       1.22967143       0.54364500       0.19812700
H        0.24165501      -1.57516749       3.81220265      -0.50308100      -0.30725100
H        0.03043373       1.28508228      -3.50143259      -0.55014000      -0.28669300
Li       0.02617243       1.24269952      -1.25571573       0.59509200       0.16544400
H        0.13871674       1.06421676       1.11389059      -0.57352100      -0.24568500
Li      -0.09190644       1.35525625       3.68410422       0.49644100       0.33357000
Li       0.01147685       3.73418522      -3.72896614       0.55938500       0.45307200
H        0.01182182       3.65605124      -1.29493432      -0.52344300      -0.29061700
Li      -0.02456567       3.63554054       1.28023461       0.45446200       0.25485000
H       -0.21441931       3.72140000       3.44219641      -0.42452000      -0.32734900
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.02872 -2.65404 1.77296" energy=-1762.4437354493955 pbc="F F F"
H        0.56159885      -2.70383474      -2.46230593      -0.33267700      -0.30235100
Li      -0.00855186      -2.49588719      -0.81013988       0.39285400       0.24643600
H        1.32998591      -1.02854342       0.44804392      -0.40087500      -0.20472800
Li       0.56232429      -2.26618735       2.28663288       0.76895200       0.49388600
Li      -0.08314115      -0.68676171      -2.47450527       0.45826700       0.26792600
H       -0.81330783      -0.67555053      -0.49423801      -0.44601000      -0.20341700
Li      -0.30126998      -0.34687247       1.13068757       0.30085500       0.10402100
H       -0.35428665      -1.19040630       2.27567148      -0.77029400      -0.30762600
H        1.06070493       0.39838331      -2.06781515      -0.58673700      -0.26837800
Li       0.91758774       0.23353492      -0.55130290       0.79218800       0.13749200
H        0.58304595       0.97553977       1.00799880      -0.51719600      -0.22721400
Li      -0.61986573       0.69761709       2.69553753       0.36701000       0.31846500
Li       0.07810956       1.83308333      -2.43219140       0.33243500       0.31197600
H       -0.67544328       3.31789233      -1.79350350      -0.42240700      -0.29571600
Li      -0.61802953       2.78862127       0.30414213       0.52076300       0.23699400
H       -1.19082295       2.57853691       2.06125443      -0.45712600      -0.30744300
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.13264 -2.27002 1.97668" energy=-1763.1108342434673 pbc="F F F"
H        0.49395630      -2.61938544      -2.43683385      -0.34674600      -0.30790200
Li      -0.00520479      -2.52313749      -0.79304368       0.38313000       0.25057500
H        1.35660949      -1.06801453       0.38071499      -0.43794700      -0.20897700
Li       0.58088775      -2.24627007       2.28075059       0.74268200       0.48556100
Li      -0.08679704      -0.68611294      -2.47880380       0.50969400       0.25266800
H       -0.71285626      -0.76245276      -0.59544067      -0.48313400      -0.21175200
Li      -0.33483039      -0.34226772       1.12701490       0.33603600       0.11307300
H       -0.44872730      -1.19253867       2.33967770      -0.71665000      -0.29654700
H        1.00992451       0.41828140      -2.21630779      -0.57780300      -0.26815400
Li       0.97176445       0.22586786      -0.52614920       0.73061800       0.14810000
H        0.60611748       0.97864583       1.02090011      -0.51568400      -0.22971600
Li      -0.62708073       0.70933814       2.71250662       0.37884900       0.30857900
Li       0.08425799       1.84128311      -2.44836570       0.37422400       0.30925100
H       -0.69459091       3.23283260      -1.78167835      -0.44735800      -0.29863500
Li      -0.63376609       2.81347271       0.30336526       0.53633300       0.25882200
H       -1.26089355       2.44349988       2.06844349      -0.46624300      -0.30464400
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.27995 -1.88257 2.1234" energy=-1763.5978107183996 pbc="F F F"
H        0.41907977      -2.52846756      -2.41296758      -0.36627900      -0.31299700
Li      -0.00070069      -2.54854681      -0.77607916       0.39043100       0.25636300
H        1.38231927      -1.14246401       0.33147905      -0.47192800      -0.21047900
Li       0.60327473      -2.22741515       2.27334289       0.69965000       0.47291000
Li      -0.09107170      -0.68996838      -2.48293818       0.56347300       0.23783100
H       -0.62193577      -0.84744017      -0.70178303      -0.52363100      -0.22092000
Li      -0.36748496      -0.33941719       1.11512936       0.31945600       0.12018700
H       -0.56824781      -1.18473703       2.43482933      -0.64141100      -0.28095200
H        0.96458623       0.45399298      -2.37229977      -0.57358600      -0.26908500
Li       1.02665661       0.21830660      -0.50070877       0.67838800       0.16262100
H        0.62655070       0.99671952       1.03554456      -0.51339700      -0.23095300
Li      -0.63440603       0.72531123       2.73110665       0.41038500       0.29394700
Li       0.09070047       1.85115500      -2.46463702       0.42313600       0.30548200
H       -0.71183879       3.14222930      -1.75817924      -0.47337600      -0.30062500
Li      -0.64963526       2.83749683       0.30303543       0.55058200       0.28004600
H       -1.33445433       2.30179463       2.07843298      -0.47189300      -0.30317200
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.46538 -1.4946 2.19769" energy=-1763.811312438121 pbc="F F F"
H        0.34031163      -2.43630082      -2.39403573      -0.39386400      -0.31692900
Li       0.00501331      -2.57215405      -0.75953360       0.41878500       0.26289200
H        1.40613548      -1.25021128       0.30396889      -0.49403400      -0.20906200
Li       0.62828587      -2.20834233       2.26443586       0.65045300       0.45612700
Li      -0.09618187      -0.69827838      -2.48696804       0.61620000       0.22480100
H       -0.54392224      -0.92415923      -0.80413168      -0.56645600      -0.22959400
Li      -0.39961928      -0.33845046       1.09625632       0.26083800       0.12465900
H       -0.70037187      -1.17134711       2.54915666      -0.56085800      -0.26358900
H        0.92957804       0.50212526      -2.52675673      -0.57026100      -0.27085500
Li       1.08214354       0.21084329      -0.47632957       0.63559800       0.18005000
H        0.64427223       1.02584847       1.05176143      -0.51008300      -0.23036000
Li      -0.64173649       0.74482535       2.75129664       0.45152900       0.27632300
Li       0.09721436       1.86262699      -2.48138236       0.46975200       0.30140200
H       -0.72886742       3.05105505      -1.72079072      -0.49788700      -0.30158600
Li      -0.66577906       2.86033969       0.30319091       0.56364600       0.29902100
H       -1.41144356       2.15717039       2.08834274      -0.47335700      -0.30319900
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.67621 -1.10781 2.19957" energy=-1763.748539732323 pbc="F F F"
H        0.26119706      -2.34958429      -2.38287098      -0.42628300      -0.31915100
Li       0.01201720      -2.59416334      -0.74371233       0.46020800       0.26898200
H        1.42609158      -1.38613814       0.29947087      -0.50322300      -0.20681000
Li       0.65481048      -2.18818993       2.25423383       0.60383000       0.43627300
Li      -0.10198456      -0.71028713      -2.49118171       0.66066800       0.21417800
H       -0.48147462      -0.98558512      -0.89273176      -0.60195500      -0.23582500
Li      -0.43176406      -0.33918917       1.07181386       0.18769200       0.12687400
H       -0.83250492      -1.15551627       2.67061877      -0.48950800      -0.24775900
H        0.90738910       0.55553361      -2.67621130      -0.56123200      -0.27290100
Li       1.13810933       0.20309712      -0.45341023       0.60308400       0.19952400
H        0.65953153       1.06137278       1.06895864      -0.50585100      -0.22801300
Li      -0.64885820       0.76690976       2.77308917       0.48289300       0.25831500
Li       0.10351277       1.87585193      -2.49888277       0.50175200       0.29761500
H       -0.74728173       2.96357431      -1.66760023      -0.51871500      -0.30160900
Li      -0.68233879       2.88164610       0.30387457       0.57573000       0.31435000
H       -1.49247084       2.01461015       2.09443249      -0.46909100      -0.30428700
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.89884 -0.71947 2.14351" energy=-1763.509184191823 pbc="F F F"
H        0.18521889      -2.27713419      -2.38119003      -0.45547700      -0.32010400
Li       0.02036281      -2.61483428      -0.72893828       0.50023900       0.27376900
H        1.44001459      -1.54314015       0.31777269      -0.50446500      -0.20670000
Li       0.68205816      -2.16661671       2.24304070       0.56336100       0.41511800
Li      -0.10817022      -0.72450696      -2.49618333       0.68990600       0.20591200
H       -0.43595159      -1.02561473      -0.95778714      -0.62380500      -0.23831700
Li      -0.46448759      -0.34118065       1.04308882       0.13047100       0.12797200
H       -0.95448112      -1.13897600       2.78945571      -0.43283500      -0.23538500
H        0.89824001       0.60534351      -2.81985328      -0.54385300      -0.27449400
Li       1.19442778       0.19456503      -0.43191172       0.58174400       0.22067700
H        0.67274877       1.09869724       1.08649803      -0.50138200      -0.22458700
Li      -0.65541648       0.79044377       2.79657739       0.48889500       0.24226500
Li       0.10928263       1.89111702      -2.51722040       0.51260400       0.29472500
H       -0.76804803       2.88262910      -1.59782092      -0.53485200      -0.30099900
Li      -0.69944157       2.90107851       0.30514801       0.58678000       0.32503300
H       -1.57900326       1.87968743       2.09229761      -0.45733300      -0.30484000
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.11882 -0.31805 2.05459" energy=-1763.266130300011 pbc="F F F"
H        0.11520769      -2.22942360      -2.38921898      -0.47564400      -0.32147300
Li       0.03000763      -2.63435401      -0.71555003       0.52919500       0.27688700
H        1.44637431      -1.71386128       0.35768873      -0.50274000      -0.21102700
Li       0.70953862      -2.14365719       2.23118241       0.52910800       0.39424900
Li      -0.11447314      -0.73902814      -2.50276133       0.70150600       0.19993900
H       -0.40678011      -1.04049144      -0.99071289      -0.63692300      -0.23741800
Li      -0.49835015      -0.34383241       1.01115369       0.10802100       0.12916100
H       -1.05896940      -1.12249188       2.89878678      -0.38937200      -0.22759000
H        0.90087466       0.64457702      -2.95801508      -0.51940300      -0.27531100
Li       1.25091835       0.18484000      -0.41159791       0.56962500       0.24340300
H        0.68443502       1.13382167       1.10391178      -0.49734600      -0.22100300
Li      -0.66102950       0.81442623       2.82186253       0.46681400       0.22950000
Li       0.11421091       1.90868615      -2.53622151       0.50462300       0.29338900
H       -0.79081819       2.80905133      -1.51288028      -0.54666100      -0.30015000
Li      -0.71719200       2.91835211       0.30711971       0.59679600       0.33087100
H       -1.67266237       1.75681080       2.07774003      -0.43759600      -0.30335500
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.64301 1.12106 -1.182" energy=-1759.9075952776548 pbc="F F F"
H        0.13229639      -3.61851700      -3.33051577      -0.44367800      -0.33377500
Li      -0.01481484      -3.66926821      -1.16290667       0.46463800       0.26768400
H        0.08406750      -3.84641765       1.50267991      -0.51761900      -0.29381500
Li       0.06917783      -3.63759524       3.66438977       0.45505200       0.32945500
Li      -0.00784878      -1.22802456      -3.79769983       0.51315200       0.32888400
H        0.11183638      -1.04780620      -1.04088436      -0.55420400      -0.25098200
Li      -0.03488467      -1.33712317       1.22476370       0.54067500       0.19773400
H        0.27484130      -1.65000149       3.81110951      -0.49895900      -0.31291300
H        0.03403979       1.30141695      -3.45600901      -0.55428200      -0.28630700
Li       0.03170728       1.24021374      -1.25622942       0.60193200       0.16084900
H        0.15521945       1.03413499       1.10008406      -0.57234300      -0.24511200
Li      -0.10828330       1.37807728       3.66529980       0.50543500       0.34829100
Li       0.01372046       3.72182449      -3.71475155       0.55564200       0.44820900
H        0.01289554       3.62993543      -1.31726557      -0.52305400      -0.29068400
Li      -0.02935586       3.60891076       1.28814393       0.45971700       0.25745800
H       -0.25039676       3.66701234       3.34349249      -0.43210400      -0.32498600
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.6866 1.28902 -1.35765" energy=-1760.171980657919 pbc="F F F"
H        0.14451450      -3.54797098      -3.22371787      -0.45415200      -0.33176800
Li      -0.01568369      -3.65038139      -1.15275934       0.47139000       0.27086900
H        0.08877388      -3.84114272       1.54860253      -0.51698200      -0.29471900
Li       0.08121827      -3.61004186       3.64071452       0.43755800       0.30957200
Li      -0.00801582      -1.22714722      -3.79630834       0.52373700       0.34146800
H        0.11837544      -1.02793208      -1.00190352      -0.55135700      -0.25184500
Li      -0.03785644      -1.34935049       1.21945795       0.53766200       0.19757400
H        0.30285566      -1.72644235       3.80721889      -0.49580400      -0.31965500
H        0.03674052       1.31939311      -3.41450313      -0.55826700      -0.28608100
Li       0.03751034       1.23730389      -1.25647249       0.60813700       0.15782400
H        0.16744598       1.00740015       1.09282859      -0.57134200      -0.24449000
Li      -0.12431983       1.40199523       3.64419566       0.51647400       0.36267100
Li       0.01600120       3.70643927      -3.69706629       0.55097700       0.44178700
H        0.01351731       3.60267543      -1.34377782      -0.52291800      -0.29089300
Li      -0.03425286       3.58064405       1.29641684       0.47015600       0.26224600
H       -0.28425937       3.59808411       3.23628518      -0.44527000      -0.32458100
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.70837 1.44287 -1.52639" energy=-1760.4276492847462 pbc="F F F"
H        0.15333660      -3.46618693      -3.11145852      -0.46871200      -0.33074200
Li      -0.01599606      -3.62972687      -1.14341353       0.48220600       0.27513900
H        0.09014292      -3.83056281       1.59280547      -0.51717200      -0.29568800
Li       0.09364915      -3.58055770       3.61447710       0.42204300       0.29136200
Li      -0.00778010      -1.22694476      -3.79207519       0.53558100       0.35397100
H        0.12069213      -1.01353374      -0.96180364      -0.54925200      -0.25275800
Li      -0.03984582      -1.36103857       1.21376021       0.53483300       0.19755600
H        0.32570609      -1.80170671       3.80145737      -0.49382500      -0.32732500
H        0.03852674       1.33826087      -3.37840627      -0.56200000      -0.28600200
Li       0.04358351       1.23395655      -1.25637815       0.61346000       0.15663200
H        0.17518210       0.98470602       1.09300030      -0.57088800      -0.24384300
Li      -0.14001560       1.42700825       3.62062052       0.52973500       0.37604400
Li       0.01831775       3.68800402      -3.67583232       0.54574200       0.43397200
H        0.01371101       3.57502994      -1.37433297      -0.52318000      -0.29135000
Li      -0.03925285       3.55066833       1.30469003       0.48653000       0.26957300
H       -0.31596837       3.51607423       3.12466122      -0.46510200      -0.32655600
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.70742 1.57464 -1.68662" energy=-1760.6308508267905 pbc="F F F"
H        0.15867921      -3.37464616      -2.99766795      -0.48760900      -0.33081900
Li      -0.01574572      -3.60721815      -1.13459608       0.49764800       0.28069900
H        0.08798588      -3.81511523       1.63342505      -0.51855600      -0.29666600
Li       0.10642775      -3.54972974       3.58580075       0.40933700       0.27545400
Li      -0.00712655      -1.22739500      -3.78484983       0.54847700       0.36582100
H        0.11862456      -1.00493479      -0.92079936      -0.54828800      -0.25370400
Li      -0.04080123      -1.37215378       1.20769677       0.53253800       0.19749000
H        0.34376258      -1.87176989       3.79500466      -0.49301400      -0.33555300
H        0.03943784       1.35717262      -3.34903607      -0.56535400      -0.28602200
Li       0.04991426       1.23016254      -1.25588262       0.61781300       0.15748300
H        0.17838827       0.96658256       1.10113632      -0.57134200      -0.24316500
Li      -0.15537688       1.45304983       3.59439886       0.54517600       0.38754000
Li       0.02066589       3.66650165      -3.65099828       0.54025300       0.42494600
H        0.01353070       3.54775219      -1.40868878      -0.52390600      -0.29212600
Li      -0.04431454       3.51889816       1.31242525       0.50865600       0.27948500
H       -0.34584790       3.42305201       3.01416204      -0.49182900      -0.33086500
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.04202 0.05788 -0.0624" energy=-1759.1015596506797 pbc="F F F"
H        0.00817513      -3.75739348      -3.74118236      -0.42727600      -0.34655500
Li      -0.00099000      -3.74748617      -1.24447495       0.46943500       0.26155400
H        0.00564743      -3.76026431       1.25982441      -0.52692200      -0.29087500
Li       0.00348227      -3.74698104       3.74835771       0.55343300       0.44506400
Li      -0.00057113      -1.24807882      -3.75464480       0.47229400       0.26461600
H        0.00749623      -1.23850709      -1.24081805      -0.57019000      -0.24750300
Li      -0.00219994      -1.25486861       1.24894453       0.55360100       0.20153300
H        0.01682603      -1.26623069       3.75755644      -0.52620600      -0.29133500
H        0.00219578       1.24885390      -3.73630131      -0.52877100      -0.29046100
Li       0.00154743       1.24975813      -1.25047770       0.55636500       0.19940100
H        0.00997951       1.23853951       1.24066749      -0.57150900      -0.24737300
Li      -0.00587407       1.25583777       3.74748766       0.47180800       0.26573700
Li       0.00070395       3.75145607      -3.75124080       0.55851000       0.45171700
H        0.00090734       3.74716955      -1.24900971      -0.52705500      -0.29077000
Li      -0.00151783       3.74429014       1.25121130       0.46878400       0.26067100
H       -0.01391607       3.76079217       3.74256611      -0.42630100      -0.34579100
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.68329 1.67394 -1.83689" energy=-1760.7570391886895 pbc="F F F"
H        0.16065630      -3.27496942      -2.88723153      -0.51015500      -0.33170200
Li      -0.01495657      -3.58277624      -1.12590794       0.51749100       0.28756000
H        0.08219286      -3.79536235       1.66832405      -0.52141700      -0.29754500
Li       0.11945767      -3.51837249       3.55481001       0.39980800       0.26224000
Li      -0.00605165      -1.22845578      -3.77449740       0.56191500       0.37625100
H        0.11214180      -1.00215046      -0.87907190      -0.54878600      -0.25467600
Li      -0.04069761      -1.38265780       1.20131975       0.53131900       0.19710000
H        0.35783146      -1.93099706       3.78935925      -0.49286300      -0.34357400
H        0.03956036       1.37515090      -3.32752350      -0.56819300      -0.28609500
Li       0.05647643       1.22590776      -1.25492624       0.62107900       0.16049200
H        0.17721047       0.95338407       1.11737225      -0.57302400      -0.24243100
Li      -0.17041233       1.47995682       3.56537047       0.56215500       0.39606600
Li       0.02303881       3.64192174      -3.62254757       0.53491500       0.41499200
H        0.01305913       3.52165664      -1.44639606      -0.52506800      -0.29331600
Li      -0.04933323       3.48526945       1.31885394       0.53454800       0.29156000
H       -0.37479486       3.32163435       2.91201572      -0.52372200      -0.33690000
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.63589 1.72856 -1.97628" energy=-1760.828148131413 pbc="F F F"
H        0.15959558      -3.16865683      -2.78587623      -0.53458200      -0.33287400
Li      -0.01368365      -3.55635224      -1.11682784       0.54035200       0.29554600
H        0.07272939      -3.77190063       1.69522315      -0.52596900      -0.29825400
Li       0.13259098      -3.48749802       3.52160955       0.39317900       0.25187400
Li      -0.00456353      -1.23007249      -3.76091378       0.57514700       0.38442500
H        0.10134432      -1.00494358      -0.83678902      -0.55092200      -0.25565600
Li      -0.03953767      -1.39250968       1.19471398       0.53199800       0.19610300
H        0.36911728      -1.97243309       3.78632986      -0.49239100      -0.35036500
H        0.03902315       1.39112488      -3.31465909      -0.57037200      -0.28616600
Li       0.06323126       1.22117473      -1.25345926       0.62326200       0.16572300
H        0.17200761       0.94534850       1.14137907      -0.57613200      -0.24156600
Li      -0.18512733       1.50744378       3.53342874       0.57942000       0.40052900
Li       0.02542756       3.61427042      -3.59052223       0.53014000       0.40444300
H        0.01240239       3.49748395      -1.48669503      -0.52653200      -0.29499400
Li      -0.05412616       3.44978815       1.32300927       0.55999400       0.30498100
H       -0.40442141       3.21479223       2.82667611      -0.55659200      -0.34370600
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.56515 1.72552 -2.10318" energy=-1760.9042116721737 pbc="F F F"
H        0.15599858      -3.05707217      -2.69977512      -0.55803700      -0.33358800
Li      -0.01200700      -3.52794640      -1.10675784       0.56369500       0.30426900
H        0.05965060      -3.74530022       1.71174927      -0.53206500      -0.29866600
Li       0.14565865      -3.45811968       3.48629983       0.38832000       0.24428200
Li      -0.00267995      -1.23216270      -3.74404070       0.58716400       0.38950100
H        0.08646190      -1.01281079      -0.79411397      -0.55480400      -0.25666400
Li      -0.03735202      -1.40166536       1.18800562       0.53567500       0.19434500
H        0.37897925      -1.98921241       3.78786090      -0.49022800      -0.35484600
H        0.03799096       1.40400280      -3.31075277      -0.57179400      -0.28621700
Li       0.07012828       1.21594404      -1.25145461       0.62411500       0.17312300
H        0.16336878       0.94259993       1.17235559      -0.58066200      -0.24050300
Li      -0.19951258       1.53505586       3.49857094       0.59565800       0.40022300
Li       0.02782108       3.58357324      -3.55504849       0.52653800       0.39375100
H        0.01168496       3.47578898      -1.52839421      -0.52823300      -0.29723400
Li      -0.05846575       3.41254862       1.32395791       0.57940700       0.31863500
H       -0.43691239       3.10605163       2.76587548      -0.58474700      -0.35035900
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.4707 1.65296 -2.21435" energy=-1761.0351348993509 pbc="F F F"
H        0.15043887      -2.94147584      -2.63430373      -0.57788400      -0.33337200
Li      -0.01001460      -3.49759515      -1.09516765       0.58479500       0.31326500
H        0.04309809      -3.71604021       1.71561888      -0.53929700      -0.29861800
Li       0.15853494      -3.43092681       3.44902228       0.38394700       0.23939400
Li      -0.00042942      -1.23460410      -3.72388471       0.59725900       0.39095100
H        0.06783897      -1.02512246      -0.75121740      -0.56046600      -0.25773600
Li      -0.03419687      -1.41007641       1.18135476       0.54333200       0.19190600
H        0.38847872      -1.97691467       3.79552466      -0.48536800      -0.35633100
H        0.03665571       1.41262505      -3.31564829      -0.57239500      -0.28623700
Li       0.07710659       1.21019709      -1.24890828       0.62326400       0.18261100
H        0.15209076       0.94519541       1.20901343      -0.58627900      -0.23916800
Li      -0.21351739       1.56206101       3.46098193       0.61005100       0.39521700
Li       0.03020720       3.54987811      -3.51634985       0.52473100       0.38337600
H        0.01104408       3.45697768      -1.56976404      -0.53028800      -0.30006500
Li      -0.06217914       3.37366946       1.32118531       0.58853000       0.33129100
H       -0.47449509       3.00064152       2.73337314      -0.60393300      -0.35646100
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.35179 1.5014 -2.30504" energy=-1761.2057709377505 pbc="F F F"
H        0.14342345      -2.82359918      -2.59276594      -0.59316600      -0.33237300
Li      -0.00778142      -3.46531300      -1.08176124       0.60203000       0.32213300
H        0.02332249      -3.68444027       1.70484737      -0.54700700      -0.29785100
Li       0.17119079      -3.40599112       3.41003762       0.37961700       0.23732000
Li       0.00214780      -1.23722006      -3.70054426       0.60553600       0.38884500
H        0.04594089      -1.04104042      -0.70819851      -0.56769000      -0.25893100
Li      -0.03015416      -1.41769883       1.17495842       0.55513200       0.18909800
H        0.39797618      -1.93568257       3.80977276      -0.47797600      -0.35480800
H        0.03522928       1.41582382      -3.32869357      -0.57215000      -0.28621000
Li       0.08409727       1.20392415      -1.24584762       0.62021600       0.19404600
H        0.13919272       0.95315393       1.24963795      -0.59234500      -0.23760700
Li      -0.22699124       1.58726695       3.42115798       0.62155100       0.38627900
Li       0.03257363       3.51325941      -3.47477170       0.52516700       0.37375500
H        0.01062384       3.44122803      -1.60839988      -0.53291200      -0.30338300
Li      -0.06525183       3.33317864       1.31482554       0.58635100       0.34155700
H       -0.51914736       2.90753402       2.72647827      -0.61235400      -0.36188400
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.20775 1.26625 -2.37031" energy=-1761.3684585431636 pbc="F F F"
H        0.13533560      -2.70623040      -2.57530977      -0.60516500      -0.33144400
Li      -0.00535896      -3.43101545      -1.06656064       0.61555600       0.33052000
H        0.00070557      -3.65064651       1.67797804      -0.55440100      -0.29607300
Li       0.18369832      -3.38273793       3.36976412       0.37594400       0.23836000
Li       0.00499960      -1.23973964      -3.67424789       0.61303800       0.38397900
H        0.02132847      -1.05975911      -0.66528704      -0.57586200      -0.26032400
Li      -0.02532880      -1.42448717       1.16904388       0.56991900       0.18638500
H        0.40707871      -1.87045115       3.82946861      -0.46937500      -0.35089700
H        0.03393459       1.41256714      -3.34874365      -0.57105300      -0.28607700
Li       0.09102611       1.19712570      -1.24232903       0.61455500       0.20716700
H        0.12584426       0.96654512       1.29220368      -0.59825100      -0.23615300
Li      -0.23959748       1.60892739       3.37997781       0.62709300       0.37431700
Li       0.03490900       3.47381500      -3.43078134       0.52795500       0.36525400
H        0.01056815       3.42839992      -1.64126805      -0.53616000      -0.30688800
Li      -0.06784757       3.29096662       1.30553862       0.57471100       0.34780500
H       -0.57300115       2.84027896       2.73630124      -0.60850400      -0.36596600
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.0396 0.95145 -2.40821" energy=-1761.540748465823 pbc="F F F"
H        0.12650438      -2.59382741      -2.57889846      -0.61655200      -0.33175500
Li      -0.00278476      -3.39449613      -1.04984168       0.62680800       0.33795100
H       -0.02418854      -3.61460427       1.63456461      -0.56073500      -0.29310900
Li       0.19617328      -3.36025846       3.32867376       0.37386100       0.24283600
Li       0.00805899      -1.24173076      -3.64541008       0.62134100       0.37769400
H       -0.00533842      -1.08048996      -0.62296694      -0.58412700      -0.26198700
Li      -0.01984564      -1.43040641       1.16386899       0.58544800       0.18430700
H        0.41498928      -1.78880605       3.85215246      -0.46108300      -0.34549500
H        0.03299114       1.40202952      -3.37424728      -0.56914200      -0.28571800
Li       0.09781657       1.18981355      -1.23843520       0.60613200       0.22145800
H        0.11332854       0.98548145       1.33455423      -0.60373100      -0.23548500
Li      -0.25078803       1.62501458       3.33851301       0.62070200       0.35986100
Li       0.03720337       3.43166717      -3.38497654       0.53289800       0.35819800
H        0.01102114       3.41799218      -1.66469112      -0.53976600      -0.31005200
Li      -0.07022474       3.24688523       1.29412160       0.55648000       0.34841800
H       -0.63907615       2.81445450       2.75166921      -0.58853400      -0.36711800
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.14797 0.57349 -2.42096" energy=-1761.7842183428008 pbc="F F F"
H        0.11741509      -2.49292871      -2.59774548      -0.62957600      -0.33403300
Li      -0.00010187      -3.35547888      -1.03198092       0.63721500       0.34351200
H       -0.05055650      -3.57609972       1.57539349      -0.56551200      -0.28903200
Li       0.20871135      -3.33762718       3.28717793       0.37396300       0.25086000
Li       0.01123492      -1.24249614      -3.61471200       0.63174100       0.37136900
H       -0.03334687      -1.10236695      -0.58208040      -0.59169100      -0.26393300
Li      -0.01384287      -1.43544184       1.15971829       0.59913100       0.18333500
H        0.42087969      -1.69870223       3.87463653      -0.45403200      -0.33939900
H        0.03260530       1.38375189      -3.40333449      -0.56658000      -0.28495300
Li       0.10439180       1.18200926      -1.23426767       0.59500100       0.23603300
H        0.10292628       1.01013782       1.37462295      -0.60900900      -0.23638400
Li      -0.26003494       1.63415205       3.29748059       0.59856500       0.34335700
Li       0.03944902       3.38694526      -3.33808460       0.53961100       0.35290000
H        0.01212531       3.40914056      -1.67441685      -0.54305000      -0.31210300
Li      -0.07265461       3.20087151       1.28123390       0.53413600       0.34220200
H       -0.72014397       2.84031887       2.76470521      -0.54991300      -0.36375500
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.34679 0.16205 -2.41514" energy=-1762.0618738774288 pbc="F F F"
H        0.10879520      -2.41230214      -2.62347427      -0.64398100      -0.33782200
Li       0.00262568      -3.31370861      -1.01331992       0.64713500       0.34572200
H       -0.07732571      -3.53493472       1.50251470      -0.56864500      -0.28418100
Li       0.22134666      -3.31412038       3.24553738       0.37640600       0.26216300
Li       0.01441013      -1.24095984      -3.58317710       0.64395500       0.36585100
H       -0.06195033      -1.12441751      -0.54399692      -0.59810100      -0.26602200
Li      -0.00746317      -1.43958452       1.15686565       0.60893900       0.18371100
H        0.42413135      -1.60682974       3.89368973      -0.44840900      -0.33309100
H        0.03296549       1.35766209      -3.43389571      -0.56378200      -0.28360100
Li       0.11067659       1.17374086      -1.22993575       0.58135700       0.24973600
H        0.09578488       1.04066581       1.41052180      -0.61471100      -0.23932100
Li      -0.26731210       1.63662720       3.25682335       0.56716800       0.32575400
Li       0.04163914       3.33977693      -3.29087685       0.54771700       0.34968400
H        0.01402450       3.40067429      -1.66623857      -0.54507800      -0.31217500
Li      -0.07537246       3.15302343       1.26730449       0.50968800       0.32880300
H       -0.81561221       2.91531727       2.77437552      -0.49965800      -0.35511100
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.54676 -0.24414 -2.39805" energy=-1762.2856150730552 pbc="F F F"
H        0.10159642      -2.36221359      -2.64616333      -0.65647100      -0.34149300
Li       0.00531089      -3.26903157      -0.99409901       0.65636100       0.34295100
H       -0.10320595      -3.49112027       1.41892483      -0.57051900      -0.27910100
Li       0.23405011      -3.28926969       3.20386585       0.38106700       0.27609700
Li       0.01744874      -1.23572792      -3.55209250       0.65505300       0.36108400
H       -0.09042211      -1.14530415      -0.51069949      -0.60345500      -0.26794400
Li      -0.00084304      -1.44282213       1.15556781       0.61375000       0.18540300
H        0.42437701      -1.51812211       3.90644332      -0.44387600      -0.32669000
H        0.03423841       1.32403708      -3.46374046      -0.56143400      -0.28155300
Li       0.11659870       1.16503226      -1.22552595       0.56561900       0.26136900
H        0.09283822       1.07693436       1.44048818      -0.62126000      -0.24425900
Li      -0.27325490       1.63416451       3.21608173       0.53903000       0.30880100
Li       0.04376516       3.29028979      -3.24402434       0.55704000       0.34884900
H        0.01687425       3.39115812      -1.63700785      -0.54514100      -0.30960100
Li      -0.07860526       3.10361719       1.25261849       0.48628900       0.30938500
H       -0.92016964       3.02582930       2.78342073      -0.45205400      -0.34320300
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.16711 0.23277 -0.25042" energy=-1759.1577969617326 pbc="F F F"
H        0.03249053      -3.77004230      -3.70536581      -0.42760200      -0.34597000
Li      -0.00392319      -3.73871487      -1.22849223       0.46585000       0.26122100
H        0.02237741      -3.78799206       1.29226961      -0.52546200      -0.29120300
Li       0.01395509      -3.73597335       3.74149282       0.54096600       0.42894900
Li      -0.00225551      -1.24287338      -3.76727955       0.47722100       0.27352600
H        0.02970055      -1.20329721      -1.21205747      -0.56876800      -0.24783300
Li      -0.00873577      -1.26935751       1.24566013       0.55253000       0.20105400
H        0.06686380      -1.31813509       3.77729368      -0.52224300      -0.29332400
H        0.00871078       1.24843896      -3.69270558      -0.53304900      -0.28958000
Li       0.00621173       1.24891520      -1.25181878       0.56414900       0.19239100
H        0.03959387       1.20326400       1.21204735      -0.57376500      -0.24718900
Li      -0.02346094       1.27393010       3.73868412       0.47513900       0.27800900
Li       0.00281924       3.75387793      -3.75299137       0.56171000       0.45561100
H        0.00358545       3.73590682      -1.24915790      -0.52619800      -0.29077800
Li      -0.00607385       3.72593347       1.25541754       0.46322000       0.25773200
H       -0.05554969       3.78350486       3.71074290      -0.42369900      -0.34292500
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.73785 -0.60789 -2.37626" energy=-1762.4506499108304 pbc="F F F"
H        0.09669511      -2.35186943      -2.65699960      -0.66176100      -0.34315900
Li       0.00785264      -3.22142653      -0.97446928       0.66490300       0.33413200
H       -0.12679316      -3.44501351       1.32824749      -0.57171100      -0.27436300
Li       0.24675088      -3.26280164       3.16218508       0.38776200       0.29178700
Li       0.02023365      -1.22546005      -3.52263785       0.65995900       0.35644000
H       -0.11809906      -1.16321612      -0.48448861      -0.60801500      -0.26924500
Li       0.00589712      -1.44513054       1.15602629       0.61285900       0.18816800
H        0.42142545      -1.43606787       3.91038841      -0.44006400      -0.32019900
H        0.03655862       1.28342463      -3.49066690      -0.56030700      -0.27880700
Li       0.12209336       1.15589779      -1.22107771       0.54838100       0.26995300
H        0.09475619       1.11836828       1.46282583      -0.62806700      -0.25082900
Li      -0.27877997       1.62876409       3.17503794       0.52031300       0.29430000
Li       0.04581432       3.23862078      -3.19796152       0.56774200       0.35063900
H        0.02085045       3.37888345      -1.58558814      -0.54321900      -0.30413600
Li      -0.08261832       3.05311039       1.23741555       0.46780600       0.28639900
H       -1.02605910       3.15544564       2.79330678      -0.41658100      -0.33091500
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.91047 -0.90106 -2.35135" energy=-1762.6004461588495 pbc="F F F"
H        0.09454558      -2.38485997      -2.65237826      -0.65598000      -0.34191700
Li       0.01014719      -3.17102207      -0.95451396       0.67296800       0.31927300
H       -0.14667197      -3.39734272       1.23461671      -0.57299900      -0.27049100
Li       0.25935406      -3.23459804       3.12045902       0.39624500       0.30825700
Li       0.02271405      -1.20953577      -3.49531286       0.65504000       0.35147200
H       -0.14440056      -1.17588449      -0.46745235      -0.61181600      -0.26941100
Li       0.01265444      -1.44645647       1.15833392       0.60593700       0.19165000
H        0.41519372      -1.36300155       3.90336180      -0.43659100      -0.31354400
H        0.04002184       1.23658477      -3.51257493      -0.56091700      -0.27548200
Li       0.12710829       1.14633270      -1.21656352       0.53017500       0.27493100
H        0.10200333       1.16363452       1.47581779      -0.63433000      -0.25853700
Li      -0.28469227       1.62192821       3.13393827       0.50992500       0.28368500
Li       0.04776933       3.18493606      -3.15278366       0.58022200       0.35520100
H        0.02613830       3.36184046      -1.51350939      -0.54023900      -0.29610000
Li      -0.08769820       3.00217454       1.22186110       0.45658100       0.26276500
H       -1.12597364       3.29048892       2.80294917      -0.39422100      -0.32165600
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.05532 -1.1081 -2.31828" energy=-1762.7167949340387 pbc="F F F"
H        0.09507203      -2.45624152      -2.63579932      -0.63921900      -0.33819700
Li       0.01209546      -3.11809780      -0.93429727       0.68025000       0.29945300
H       -0.16157021      -3.34925786       1.14247710      -0.57522000      -0.26775700
Li       0.27176185      -3.20464036       3.07865237       0.40646300       0.32457200
Li       0.02491979      -1.18849304      -3.46967377       0.64128700       0.34623300
H       -0.16879636      -1.18063485      -0.46094275      -0.61481800      -0.26802900
Li       0.01934231      -1.44667685       1.16242938       0.59320000       0.19544600
H        0.40567171      -1.30051511       3.88352909      -0.43326700      -0.30670300
H        0.04468225       1.18442058      -3.52751272      -0.56327900      -0.27181000
Li       0.13160748       1.13630050      -1.21188219       0.51151200       0.27620600
H        0.11492595       1.21041249       1.47800924      -0.63963400      -0.26679800
Li      -0.29153906       1.61452529       3.09334276       0.50481400       0.27731700
Li       0.04961156       3.12944751      -3.10830328       0.59466900       0.36254400
H        0.03288545       3.33777928      -1.42453415      -0.53777000      -0.28631000
Li      -0.09411173       2.95168449       1.20597869       0.45242700       0.24047000
H       -1.21445039       3.42119441       2.80990042      -0.38141300      -0.31655200
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.16481 -1.22424 -2.26642" energy=-1762.7599709284827 pbc="F F F"
H        0.09792016      -2.55488292      -2.61517350      -0.61387100      -0.33335300
Li       0.01361821      -3.06303325      -0.91388446       0.68574000       0.27665400
H       -0.17044461      -3.30209277       1.05649403      -0.57908700      -0.26624900
Li       0.28388297      -3.17299471       3.03673787       0.41858000       0.33995800
Li       0.02692089      -1.16373017      -3.44472859       0.62258700       0.34095600
H       -0.19079127      -1.17465380      -0.46538007      -0.61733800      -0.26493000
Li       0.02588474      -1.44561152       1.16810461       0.57567300       0.19917000
H        0.39289733      -1.24958811       3.84938224      -0.43012100      -0.29977800
H        0.05055037       1.12803166      -3.53371027      -0.56703200      -0.26811700
Li       0.13557253       1.12572390      -1.20686533       0.49339400       0.27405900
H        0.13382709       1.25506584       1.46847516      -0.64391100      -0.27476300
Li      -0.29965663       1.60699741       3.05392390       0.50238400       0.27478900
Li       0.05132534       3.07239870      -3.06419331       0.61062200       0.37247400
H        0.04114595       3.30445275      -1.32359880      -0.53756500      -0.27589200
Li      -0.10207202       2.90271349       1.18961147       0.45478200       0.22051800
H       -1.28784680       3.54059263       2.81170497      -0.37483600      -0.31545500
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.2339 -1.25265 -2.18478" energy=-1762.7304496542133 pbc="F F F"
H        0.10275502      -2.66849856      -2.59853532      -0.58215100      -0.32855200
Li       0.01466261      -3.00624194      -0.89335981       0.68810000       0.25321300
H       -0.17255595      -3.25731804       0.98134608      -0.58483700      -0.26593300
Li       0.29564088      -3.13978535       2.99470871       0.43269700       0.35384200
Li       0.02878253      -1.13683081      -3.41950962       0.60264700       0.33555400
H       -0.20986820      -1.15545572      -0.48031455      -0.62008600      -0.26027200
Li       0.03220645      -1.44300077       1.17502654       0.55500600       0.20246300
H        0.37694276      -1.21076450       3.79969748      -0.42738400      -0.29303500
H        0.05759277       1.06876859      -3.52969858      -0.57188600      -0.26478100
Li       0.13900315       1.11447847      -1.20127813       0.47764100       0.26903400
H        0.15902565       1.29249408       1.44752380      -0.64661200      -0.28133700
Li      -0.30921216       1.59950057       3.01627696       0.50005400       0.27504700
Li       0.05290164       3.01404508      -3.02009067       0.62700500       0.38454600
H        0.05084149       3.25993622      -1.21610836      -0.54124700      -0.26603300
Li      -0.11173897       2.85651012       1.17241257       0.46292700       0.20302800
H       -1.34408674       3.64384686       2.80655132      -0.37187200      -0.31674700
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.2601 -1.20109 -2.06676" energy=-1762.6757179548365 pbc="F F F"
H        0.10934116      -2.78705985      -2.59139773      -0.54582100      -0.32426800
Li       0.01520218      -2.94812937      -0.87288442       0.68588900       0.23120700
H       -0.16750340      -3.21619964       0.92123931      -0.59208500      -0.26659200
Li       0.30697859      -3.10518247       2.95258599       0.44859500       0.36582900
Li       0.03054769      -1.10912022      -3.39335742       0.58431100       0.32972300
H       -0.22549167      -1.12125092      -0.50469481      -0.62403100      -0.25447600
Li       0.03823712      -1.43851773       1.18280393       0.53338500       0.20498500
H        0.35791262      -1.18426960       3.73357989      -0.42547300      -0.28690700
H        0.06573709       1.00837249      -3.51436816      -0.57802100      -0.26216500
Li       0.14191806       1.10237977      -1.19482884       0.46674000       0.26175000
H        0.19090984       1.31650236       1.41697239      -0.64642300      -0.28536800
Li      -0.32023272       1.59200024       2.98082283       0.49631000       0.27703000
Li       0.05433963       2.95462787      -2.97571455       0.64245500       0.39807600
H        0.06172514       3.20302093      -1.10715352      -0.55007300      -0.25774700
Li      -0.12323772       2.81441490       1.15389738       0.47465600       0.18774900
H       -1.38235766       3.72774657       2.79336733      -0.37041300      -0.31876500
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.2432 -1.07957 -1.91246" energy=-1762.6597524501829 pbc="F F F"
H        0.11743797      -2.90351347      -2.59566056      -0.50680000      -0.32056900
Li       0.01524510      -2.88906293      -0.85283013       0.67761500       0.21220600
H       -0.15518986      -3.17967798       0.87978275      -0.59968100      -0.26785300
Li       0.31785815      -3.06940481       2.91040421       0.46585600       0.37565400
Li       0.03223892      -1.08156921      -3.36592353       0.56978200       0.32336600
H       -0.23712703      -1.07147742      -0.53705031      -0.63029000      -0.24813300
Li       0.04390997      -1.43175351       1.19103466       0.51316100       0.20645200
H        0.33594834      -1.17001151       3.65052959      -0.42506900      -0.28197200
H        0.07488342       0.94903445      -3.48703211      -0.58591800      -0.26054900
Li       0.14435544       1.08918183      -1.18719006       0.46373600       0.25281100
H        0.22977618       1.32114407       1.38001635      -0.64163100      -0.28586100
Li      -0.33263485       1.58436423       2.94775431       0.49075800       0.27991300
Li       0.05564552       2.89436524      -2.93086389       0.65560600       0.41217100
H        0.07340267       3.13346786      -1.00162117      -0.56479400      -0.25188700
Li      -0.13667468       2.77763804       1.13356451       0.48647200       0.17449300
H       -1.40263212       3.79019396       2.77165690      -0.36880400      -0.32015700
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.18522 -0.90043 -1.7257" energy=-1762.7237928858292 pbc="F F F"
H        0.12671338      -3.01289735      -2.61009599      -0.46875100      -0.31768500
Li       0.01482641      -2.82936750      -0.83377277       0.66289300       0.19734300
H       -0.13574942      -3.14821118       0.85938745      -0.60586100      -0.26928700
Li       0.32825900      -3.03272002       2.86820410       0.48410000       0.38324600
Li       0.03386723      -1.05490051      -3.33704768       0.56084200       0.31682000
H       -0.24437501      -1.00697305      -0.57608856      -0.63945400      -0.24189200
Li       0.04917648      -1.42227079       1.19942547       0.49609100       0.20676600
H        0.31123471      -1.16753451       3.55055071      -0.42719200      -0.27890900
H        0.08492149       0.89341072      -3.44751167      -0.59591000      -0.26010200
Li       0.14637456       1.07458528      -1.17801940       0.47202300       0.24272400
H        0.27542531       1.30287540       1.34035485      -0.63111700      -0.28227000
Li      -0.34625947       1.57644181       2.91707568       0.48351100       0.28329700
Li       0.05683149       2.83344708      -2.88542540       0.66514900       0.42576000
H        0.08534881       3.05218632      -0.90428696      -0.58540500      -0.24907300
Li      -0.15210052       2.74692785       1.11105769       0.49517200       0.16339500
H       -1.40527293       3.82972894       2.74126750      -0.36609200      -0.32010600
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.09003 -0.67699 -1.51059" energy=-1762.8656877890767 pbc="F F F"
H        0.13673487      -3.11133063      -2.63152573      -0.43593000      -0.31585500
Li       0.01399364      -2.76936840      -0.81637361       0.64253400       0.18729800
H       -0.10948272      -3.12188399       0.86084985      -0.60894600      -0.27056000
Li       0.33817978      -2.99545884       2.82603079       0.50312900       0.38878700
Li       0.03543439      -1.02967757      -3.30666072       0.55758100       0.31065200
H       -0.24703538      -0.93029981      -0.62065110      -0.65192900      -0.23648100
Li       0.05400630      -1.40958845       1.20777677       0.48381800       0.20613700
H        0.28399888      -1.17586087       3.43442619      -0.43322100      -0.27847400
H        0.09575587       0.84449652      -3.39614161      -0.60790200      -0.26082600
Li       0.14806042       1.05825788      -1.16699737       0.49517000       0.23200000
H        0.32658251       1.26218382       1.30150169      -0.61547100      -0.27480200
Li      -0.36089347       1.56809600       2.88865033       0.47462700       0.28722100
Li       0.05791342       2.77204104      -2.83934522       0.66975000       0.43762500
H        0.09696296       2.96129950      -0.82002931      -0.61070700      -0.24952400
Li      -0.16943381       2.72234734       1.08626934       0.49954800       0.15505100
H       -1.39084737       3.84526077       2.70223331      -0.36205100      -0.31833300
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.96269 -0.42174 -1.26946" energy=-1763.0458075773397 pbc="F F F"
H        0.14700871      -3.19560242      -2.65608581      -0.41087600      -0.31517000
Li       0.01279142      -2.70942497      -0.80117622       0.61840700       0.18218200
H       -0.07684402      -3.10034626       0.88266751      -0.60850100      -0.27161400
Li       0.34764471      -2.95803495       2.78394479       0.52297000       0.39278400
Li       0.03693480      -1.00634911      -3.27473573       0.55779700       0.30540100
H       -0.24521912      -0.84578663      -0.66956628      -0.66796900      -0.23269100
Li       0.05839102      -1.39321075       1.21593527       0.47751700       0.20510000
H        0.25450755      -1.19326753       3.30412570      -0.44471600      -0.28142300
H        0.10733335       0.80543242      -3.33381336      -0.62132500      -0.26258200
Li       0.14952992       1.03988260      -1.15386965       0.53568400       0.22125300
H        0.38066664       1.20349762       1.26632779      -0.59710200      -0.26449000
Li      -0.37630175       1.55923174       2.86226467       0.46445900       0.29205100
Li       0.05890908       2.71030182      -2.79262220       0.66854600       0.44655500
H        0.10762219       2.86401616      -0.75352288      -0.63820000      -0.25282000
Li      -0.18841357       2.70330241       1.05933848       0.50047000       0.15031800
H       -1.36002610       3.83591616       2.65469744      -0.35716000      -0.31501600
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.28729 0.40943 -0.4392" energy=-1759.2416437823945 pbc="F F F"
H        0.05605845      -3.76823811      -3.65571271      -0.42829600      -0.34446500
Li      -0.00672509      -3.72816962      -1.21341849       0.46293300       0.26152800
H        0.03834455      -3.81075738       1.32876874      -0.52382200      -0.29154000
Li       0.02452318      -3.72203006       3.73173860       0.52636000       0.41105100
Li      -0.00383800      -1.23845874      -3.77788881       0.48268000       0.28323400
H        0.05089007      -1.16793601      -1.18143654      -0.56663200      -0.24828700
Li      -0.01504308      -1.28361796       1.24214352       0.55094200       0.20034300
H        0.11535627      -1.37498554       3.79255097      -0.51768000      -0.29578700
H        0.01496647       1.25226798      -3.64619186      -0.53734900      -0.28873000
Li       0.01095432       1.24784276      -1.25302151       0.57208900       0.18512000
H        0.06805761       1.16732012       1.18364860      -0.57491400      -0.24695100
Li      -0.04092619       1.29288652       3.72797987       0.47893900       0.29104500
Li       0.00494659       3.75337621      -3.75172494       0.56330000       0.45763900
H        0.00611022       3.72073409      -1.25390855      -0.52540000      -0.29074900
Li      -0.01064087       3.70581326       1.26045791       0.45842100       0.25559400
H       -0.09676878       3.79127930       3.66453648      -0.42157200      -0.33926200
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.80916 -0.14521 -1.0039" energy=-1763.2115543412467 pbc="F F F"
H        0.15703950      -3.26308210      -2.68011968      -0.39384100      -0.31540800
Li       0.01126246      -2.64991662      -0.78849106       0.59345800       0.18150300
H       -0.03848116      -3.08285961       0.92074944      -0.60592800      -0.27267300
Li       0.35671736      -2.92095695       2.74205389       0.54403200       0.39595700
Li       0.03836011      -0.98525737      -3.24126525       0.55827700       0.30141900
H       -0.23950281      -0.75927551      -0.72175905      -0.68733700      -0.23119000
Li       0.06233853      -1.37270028       1.22374650       0.47714200       0.20436900
H        0.22301705      -1.21703115       3.16325757      -0.46303100      -0.28827000
H        0.11966381       0.77914043      -3.26201550      -0.63533200      -0.26518100
Li       0.15093894       1.01919272      -1.13847717       0.59307900       0.21121100
H        0.43420605       1.13337613       1.23697421      -0.57918100      -0.25286400
Li      -0.39225133       1.54980795       2.83767909       0.45454300       0.29825700
Li       0.05983778       2.64838933      -2.74529752       0.66204400       0.45159700
H        0.11674531       2.76439630      -0.70888142      -0.66468600      -0.25797000
Li      -0.20863731       2.68882708       1.03058247       0.49937800       0.14994400
H       -1.31361244       3.80103186       2.59893238      -0.35261700      -0.31076100
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.63655 0.14392 -0.71813" energy=-1763.3155216878179 pbc="F F F"
H        0.16637355      -3.31162061      -2.70062264      -0.38341000      -0.31616800
Li       0.00945973      -2.59124367      -0.77840851       0.57060700       0.18416400
H        0.00469294      -3.06848594       0.96867663      -0.60364800      -0.27405700
Li       0.36551243      -2.88485010       2.70056144       0.56736000       0.39885800
Li       0.03969920      -0.96662601      -3.20625196       0.55641600       0.29875900
H       -0.23103386      -0.67782572      -0.77594100      -0.70900800      -0.23218000
Li       0.06586809      -1.34771285       1.23091995       0.48174500       0.20444600
H        0.18968014      -1.24308616       3.01752000      -0.48883500      -0.29876600
H        0.13283175       0.76774951      -3.18286658      -0.64917400      -0.26848000
Li       0.15249352       0.99600436      -1.12076828       0.66258900       0.20271500
H        0.48359028       1.05836487       1.21494873      -0.56441100      -0.24152700
Li      -0.40851186       1.53982512       2.81462713       0.44712100       0.30616000
Li       0.06071931       2.58649207      -2.69744629       0.65245100       0.45235100
H        0.12381622       2.66714556      -0.68909325      -0.68747200      -0.26396700
Li      -0.22965186       2.67791327       1.00039866       0.49809700       0.15444100
H       -1.25267383       3.74027150       2.53546604      -0.35042700      -0.30662900
16
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.45339 0.43953 -0.41905" energy=-1763.3225460688027 pbc="F F F"
H        0.17459960      -3.33960274      -2.71540058      -0.37772900      -0.31696800
Li       0.00745525      -2.53377098      -0.77086367       0.55232700       0.18854000
H        0.05143115      -3.05635204       1.01823148      -0.60333400      -0.27590100
Li       0.37421991      -2.85044634       2.65985984       0.59348900       0.40156600
Li       0.04094530      -0.95054393      -3.16971203       0.55139000       0.29714800
H       -0.22161017      -0.60978992      -0.83069308      -0.73090600      -0.23518100
Li       0.06900635      -1.31803426       1.23686933       0.48979100       0.20525600
H        0.15433053      -1.26613564       2.87529944      -0.52126100      -0.31186900
H        0.14699844       0.77186867      -3.09922095      -0.66264300      -0.27245000
Li       0.15446601       0.97025631      -1.10079066       0.73469800       0.19666800
H        0.52585133       0.98380670       1.20102357      -0.55407500      -0.23175800
Li      -0.42486406       1.52931229       2.79283736       0.44345700       0.31583200
Li       0.06157018       2.52487983      -2.64918256       0.64346500       0.44909300
H        0.12827355       2.57758647      -0.69509875      -0.70516500      -0.26999300
Li      -0.25101377       2.66970694       0.96911139       0.50005400       0.16418200
H       -1.17871296       3.65385884       2.46528796      -0.35355700      -0.30411700
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-2.32695 1.39268 1.35506" energy=-2867.448784365469 pbc="F F F"
H       -1.87367715      -2.32279282      -1.54152059      -0.33412400      -0.21934300
Li      -1.63234507      -1.96972523       0.14338947       0.22139600       0.19136200
H       -1.56435511      -2.09720362       2.04523326      -0.43462800      -0.24583600
Li      -1.84279933      -0.16690610      -1.51575247       0.43554200       0.26342900
H       -1.25908147      -0.29816684       0.51587829      -0.84413500      -0.19590600
Li      -2.03311482      -0.08551965       1.89568358       0.76084900       0.31501200
H       -1.95097739       2.08559114      -1.41028194      -0.51829400      -0.25248500
Li      -1.68272024       1.95258097       0.39310418       0.32149500       0.24536400
H       -1.82025957       1.56370251       2.12565296      -0.54609200      -0.25394100
Li      -0.10672737      -1.88262103      -1.63611253       0.44931000       0.18914700
H        0.19313070      -2.35059595      -0.04923288      -0.66370200      -0.24601800
Li      -0.04568722      -2.14251471       1.45230826       0.40669400       0.20897400
H       -0.12678966       0.15328437      -2.15293179      -0.31836000      -0.17588800
Li      -0.15651962       0.01134430      -0.48696911       0.42812100       0.13667900
H        1.32374503       0.87360673       2.88784478      -0.63600400      -0.29561200
Li      -0.54708110       2.53925555      -1.98103006       0.63275000       0.29246500
H        0.28261433       2.75056429      -0.45263201      -0.54349900      -0.19601600
Li      -0.00758855       1.92981124       2.17530541       0.59046300       0.32242500
H        1.67493175      -1.99676153      -1.63459055      -0.49126900      -0.25884400
Li       1.68252259      -2.45991213      -0.10088496       0.72475500       0.29419900
H        2.05644802      -1.83230731       2.18693946      -0.51141600      -0.25257800
Li       1.96375763       0.31945335      -1.80344382       0.44847600       0.12722700
H        2.90025808       0.47868618      -0.56487678      -0.36988800      -0.24706700
Li       1.93107869      -0.35357122       2.63784174       0.76771500       0.27556900
H        2.21672603       1.92653647      -2.93379757      -0.33590600      -0.27045200
Li       2.17907817       2.46313488      -1.03134426       0.35975500       0.24866000
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-2.20417 1.44365 0.91738" energy=-2867.5827788488054 pbc="F F F"
H       -1.78561974      -2.24219396      -1.41366091      -0.39644000      -0.23272500
Li      -1.63474574      -1.94707134       0.16824946       0.24965100       0.19712000
H       -1.49634902      -2.14999525       2.04445623      -0.43769600      -0.24951800
Li      -1.85292326      -0.16012989      -1.52477403       0.44742700       0.26784200
H       -1.22650093      -0.23041504       0.55679918      -0.86965500      -0.19720000
Li      -2.01820304      -0.09636035       1.85888764       0.75865900       0.31077500
H       -1.95804496       2.00331972      -1.34441492      -0.52891600      -0.25433700
Li      -1.65480479       1.92430296       0.37537890       0.31186200       0.23056800
H       -1.78876473       1.58924376       2.17871837      -0.51686100      -0.25029700
Li      -0.08846102      -1.87716809      -1.64808091       0.46683600       0.20716900
H        0.17389636      -2.35187862      -0.09971969      -0.66977800      -0.24580200
Li      -0.05029658      -2.12977882       1.44319084       0.40886200       0.20246800
H       -0.18560158       0.18817111      -2.12882987      -0.35228700      -0.17933800
Li      -0.12591637       0.03103590      -0.45258270       0.47390400       0.13246500
H        1.21790291       0.79304608       2.75846198      -0.67357800      -0.29844200
Li      -0.55177871       2.52895228      -1.96083037       0.62871700       0.30604800
H        0.17548195       2.64079233      -0.46882074      -0.55475300      -0.19871700
Li       0.02307109       1.91678716       2.18314531       0.62985200       0.32080000
H        1.73619543      -1.90768853      -1.57332159      -0.51798400      -0.25819400
Li       1.65796273      -2.45444301      -0.11241556       0.75934500       0.29158100
H        2.03198434      -1.78376063       2.18246268      -0.51377300      -0.25805400
Li       1.92522913       0.32105043      -1.81868877       0.45656800       0.13003900
H        2.86478459       0.41748436      -0.42661901      -0.34520700      -0.23037300
Li       1.92579175      -0.35309113       2.64164757       0.79323900       0.28071700
H        2.26651129       1.93277777      -2.83630184      -0.34527100      -0.27717500
Li       2.15082653       2.45584268      -1.07022295       0.33727700       0.25292700
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.91401 1.43889 0.49935" energy=-2867.750252008132 pbc="F F F"
H       -1.70906539      -2.14400328      -1.29834885      -0.46570600      -0.24666000
Li      -1.63837317      -1.92630038       0.19441584       0.30272900       0.20189800
H       -1.45105955      -2.19390427       2.04380878      -0.44272000      -0.25191400
Li      -1.86585971      -0.15270798      -1.53621124       0.47732400       0.26763600
H       -1.20436410      -0.16178416       0.57914718      -0.87311100      -0.20009300
Li      -2.00391938      -0.10885911       1.82599337       0.74158600       0.30493200
H       -1.98508112       1.90540694      -1.27579495      -0.53604300      -0.25515000
Li      -1.62698135       1.89710216       0.35695688       0.31868800       0.21391600
H       -1.75525181       1.62188200       2.22675901      -0.48865000      -0.24734200
Li      -0.06844543      -1.87290318      -1.66343751       0.47465400       0.22382000
H        0.12613473      -2.34810488      -0.14236678      -0.67461200      -0.24429700
Li      -0.05002038      -2.11679434       1.43903075       0.40766500       0.19559400
H       -0.24457494       0.21678931      -2.09994618      -0.38766600      -0.18317500
Li      -0.08831987       0.05264415      -0.41709506       0.50372700       0.12610300
H        1.07820259       0.75907841       2.63198648      -0.68950800      -0.29756400
Li      -0.55503459       2.51761840      -1.94263309       0.60951100       0.32169600
H        0.07675806       2.52525574      -0.46475177      -0.56332400      -0.20155000
Li       0.05467380       1.90347849       2.19174298       0.65909100       0.31405200
H        1.79664467      -1.80876255      -1.53453237      -0.53342900      -0.25508700
Li       1.63869877      -2.44889120      -0.12183729       0.77283800       0.28903300
H        1.99287985      -1.76560957       2.15799866      -0.51574300      -0.26108000
Li       1.88734973       0.32039335      -1.83720755       0.48366800       0.13679500
H        2.81728800       0.37084144      -0.27650320      -0.32903000      -0.21492400
Li       1.92509118      -0.35538075       2.64531588       0.78450200       0.28994600
H        2.30527416       1.94239010      -2.72996369      -0.35840000      -0.28565300
Li       2.12333994       2.44754117      -1.10852568       0.32195900       0.25894600
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.47343 1.40476 0.13987" energy=-2867.7655522094456 pbc="F F F"
H       -1.65112506      -2.03151297      -1.21049130      -0.53036200      -0.25723400
Li      -1.64294485      -1.90696028       0.22294334       0.36043000       0.20431600
H       -1.43390826      -2.22824238       2.04466142      -0.44484200      -0.25224600
Li      -1.88104050      -0.14459961      -1.54920184       0.52223600       0.26221000
H       -1.19040782      -0.09618275       0.57980694      -0.85804500      -0.20372300
Li      -1.99054948      -0.12234054       1.79810434       0.71225300       0.29734200
H       -2.03017275       1.79648494      -1.21294805      -0.53931400      -0.25532300
Li      -1.59916737       1.87072518       0.33898080       0.33861400       0.19623900
H       -1.72205634       1.65892420       2.26765632      -0.46262800      -0.24545600
Li      -0.04677764      -1.86921479      -1.68207223       0.47029500       0.23792600
H        0.05819216      -2.34164202      -0.17084924      -0.67423400      -0.24139400
Li      -0.04398239      -2.10339390       1.43916353       0.40624300       0.18731200
H       -0.29785086       0.23954773      -2.06922428      -0.41999900      -0.18617800
Li      -0.04440113       0.07590281      -0.38100499       0.51294200       0.11756600
H        0.91677751       0.75199795       2.50932815      -0.69775300      -0.29470400
Li      -0.55815616       2.50477179      -1.92659047       0.58131100       0.33795800
H       -0.00683956       2.40685644      -0.43793721      -0.57109300      -0.20374600
Li       0.08584979       1.89085222       2.20042182       0.67668100       0.30550200
H        1.85340484      -1.70093764      -1.52009544      -0.53659500      -0.24998100
Li       1.62430382      -2.44315823      -0.12883878       0.76717200       0.28659500
H        1.93979762      -1.78066369       2.11371063      -0.51763000      -0.26062200
Li       1.85080869       0.31743443      -1.85760447       0.53003100       0.14580400
H        2.75385132       0.33945278      -0.12367803      -0.31993900      -0.20202600
Li       1.92834383      -0.35860826       2.64919263       0.75341300       0.30176200
H        2.33309733       1.95353239      -2.62352255      -0.37683300      -0.29543200
Li       2.09654011       2.43853793      -1.14476003       0.31764700       0.26763500
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.92187 1.37963 -0.12279" energy=-2867.5778414205815 pbc="F F F"
H       -1.61664759      -1.90743663      -1.16355380      -0.57936600      -0.26359400
Li      -1.64841045      -1.88878359       0.25468048       0.40117400       0.20362800
H       -1.44616784      -2.25247443       2.04737315      -0.44153300      -0.25057600
Li      -1.89805014      -0.13584797      -1.56293946       0.57930600       0.25183300
H       -1.18349774      -0.03667415       0.55840240      -0.83049300      -0.20724800
Li      -1.97824082      -0.13623864       1.77597672       0.68077400       0.28798700
H       -2.09189245       1.68223626      -1.16368807      -0.53712100      -0.25472800
Li      -1.57146759       1.84491474       0.32258947       0.36359300       0.17835400
H       -1.69115668       1.69840741       2.29996693      -0.44038500      -0.24475400
Li      -0.02377634      -1.86552432      -1.70377058       0.45515400       0.24922600
H       -0.01812464      -2.33557629      -0.18199030      -0.66796800      -0.23765600
Li      -0.03198231      -2.08945811       1.44324269       0.40965100       0.17700800
H       -0.33908081       0.25767003      -2.04003980      -0.44499300      -0.18737600
Li       0.00516597       0.10058935      -0.34463767       0.49378900       0.10709800
H        0.75764169       0.73678535       2.39500437      -0.70387400      -0.28923600
Li      -0.56209964       2.48997507      -1.91254613       0.55126400       0.35274400
H       -0.07005575       2.28906379      -0.38964365      -0.58138900      -0.20516700
Li       0.11452923       1.88132379       2.20835088       0.67934000       0.29828000
H        1.90325675      -1.58801539      -1.52757517      -0.53205200      -0.24429900
Li       1.61411001      -2.43693224      -0.13358712       0.74961900       0.28438100
H        1.87355429      -1.82587464       2.05164958      -0.51878200      -0.25739800
Li       1.81590468       0.31220378      -1.87896997       0.58894200       0.15441900
H        2.67330636       0.32368128       0.02586445      -0.31305300      -0.19177500
Li       1.93397555      -0.36101906       2.65295935       0.71258700       0.31444600
H        2.35134878       1.96229810      -2.53029899      -0.39936000      -0.30456900
Li       2.07021150       2.42944804      -1.17675542       0.32517600       0.27863600
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.31141 1.39276 -0.25744" energy=-2867.495215594185 pbc="F F F"
H       -1.60737118      -1.77444760      -1.16267659      -0.61305200      -0.26567300
Li      -1.65494129      -1.87173227       0.28935955       0.42016100       0.20050100
H       -1.48471051      -2.26586480       2.05122046      -0.43373600      -0.24765000
Li      -1.91656275      -0.12653562      -1.57681013       0.64431600       0.23777300
H       -1.18450006       0.01429314       0.51797204      -0.79521000      -0.21008600
Li      -1.96686253      -0.15007008       1.75986232       0.65674400       0.27736800
H       -2.16912871       1.56921332      -1.13254728      -0.52602600      -0.25334100
Li      -1.54437800       1.81938277       0.30868461       0.38311100       0.16134800
H       -1.66399886       1.73935825       2.32288527      -0.42276800      -0.24549700
Li       0.00006205      -1.86136951      -1.72809700       0.43545900       0.25858100
H       -0.09091005      -2.33295310      -0.17674937      -0.65885900      -0.23392900
Li      -0.01458594      -2.07497734       1.45122390       0.42516400       0.16557400
H       -0.36258979       0.27303863      -2.01555412      -0.45949600      -0.18601400
Li       0.05977203       0.12648202      -0.30806235       0.44004000       0.09561600
H        0.62221323       0.67660808       2.29349140      -0.69534800      -0.27704900
Li      -0.56740864       2.47282590      -1.89998042       0.52579100       0.36393800
H       -0.10832907       2.17672130      -0.32602358      -0.59646000      -0.20616900
Li       0.13883410       1.87831640       2.21500502       0.65556700       0.29333200
H        1.94310574      -1.47608169      -1.55219656      -0.52677600      -0.23996100
Li       1.60746910      -2.42980123      -0.13644523       0.72773800       0.28287700
H        1.79630279      -1.89389205       1.97581459      -0.52015100      -0.25418600
Li       1.78269019       0.30493474      -1.90083154       0.65014500       0.16018300
H        2.57633502       0.32323542       0.16841009      -0.30261600      -0.18399800
Li       1.94055480      -0.36221727       2.65573362       0.66660600       0.32668400
H        2.36330443       1.96265960      -2.46727182      -0.41867500      -0.31027600
Li       2.04389285       2.42118463      -1.20179636       0.33833200       0.29011500
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.30589 1.4535 -0.24893" energy=-2867.7116196908437 pbc="F F F"
H       -1.62219347      -1.63868385      -1.20149982      -0.63642000      -0.26618400
Li      -1.66281702      -1.85580959       0.32528010       0.42413700       0.19592700
H       -1.54344655      -2.26742373       2.05506972      -0.42328100      -0.24458500
Li      -1.93623251      -0.11657046      -1.59053214       0.70918500       0.22123200
H       -1.19577092       0.05434975       0.46355183      -0.75175200      -0.21180900
Li      -1.95603834      -0.16337554       1.74960286       0.64267500       0.26576800
H       -2.26004587       1.46518974      -1.11947144      -0.50371300      -0.25109000
Li      -1.51896896       1.79380442       0.29776810       0.38961300       0.14629100
H       -1.64150026       1.78156732       2.33597191      -0.40886100      -0.24758400
Li       0.02410466      -1.85639465      -1.75441385       0.41657700       0.26666300
H       -0.15072995      -2.33609296      -0.15965077      -0.64834600      -0.23055000
Li       0.00698906      -2.06001920       1.46316051       0.45880000       0.15449600
H       -0.36452683       0.28788567      -1.99810549      -0.46319900      -0.18207800
Li       0.11886784       0.15330966      -0.27105921       0.34378600       0.08413900
H        0.51448189       0.55462833       2.20457905      -0.66738600      -0.25578700
Li      -0.57433987       2.45293116      -1.88821235       0.50865100       0.36997600
H       -0.11662505       2.07623684      -0.25652136      -0.61461400      -0.20664000
Li       0.15875362       1.88323987       2.22061114       0.61141200       0.29052800
H        1.97070031      -1.37261849      -1.58862100      -0.52577800      -0.23808100
Li       1.60390150      -2.42139571      -0.13775407       0.70615800       0.28250900
H        1.71275836      -1.97634143       1.89145842      -0.52402800      -0.25426100
Li       1.75104483       0.29610793      -1.92309514       0.70213900       0.16188200
H        2.46507113       0.33722576       0.30193444      -0.28577300      -0.17887800
Li       1.94719155      -0.36281883       2.65650644       0.61898300       0.33831500
H        2.37338035       1.94847715      -2.44924746      -0.42374000      -0.31039500
Li       2.01698376       2.41466892      -1.21749984       0.34477500       0.29972200
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.83457 3.64286 1.46341" energy=-2863.392031742843 pbc="F F F"
H       -2.34887182      -2.50723248      -2.37611560      -0.45049200      -0.26930400
Li      -2.43493855      -2.50056266      -0.04705076       0.48564900       0.24305200
H       -2.34362034      -2.63661618       2.56930221      -0.43575700      -0.28261000
Li      -2.48489527      -0.01692080      -2.40621794       0.53279100       0.27073200
H       -2.41812047       0.09434309       0.21245346      -0.53303500      -0.19854500
Li      -2.47646993      -0.00326609       2.55509730       0.50716100       0.24064500
H       -2.17564458       2.47196846      -2.46049133      -0.47004000      -0.27593500
Li      -2.46941361       2.58501454       0.05538958       0.50502900       0.26285100
H       -2.54979635       2.39760578       2.62546097      -0.43935100      -0.28275200
Li      -0.05179620      -2.46577640      -2.41561201       0.48029900       0.21728500
H        0.05351656      -2.36939538       0.04009022      -0.54379100      -0.19334100
Li      -0.00482951      -2.48564129       2.47731914       0.46385400       0.22083800
H        0.03408864      -0.08465213      -2.56697502      -0.51172700      -0.20007900
Li       0.01799005       0.01252620      -0.07328187       0.52204200       0.11226400
H        0.38137467       0.03175414       2.68320466      -0.49987000      -0.20121900
Li      -0.06026310       2.59499476      -2.48491957       0.51312400       0.25643600
H        0.02881303       2.42178451       0.10683615      -0.54719700      -0.18785400
Li       0.04512201       2.53835160       2.49105308       0.39207000       0.31540500
H        2.61886882      -2.65851623      -2.35738824      -0.43373800      -0.29222800
Li       2.49050231      -2.53378834      -0.00367497       0.47737800       0.21225300
H        2.54525206      -2.26936140       2.53837031      -0.43831900      -0.28205900
Li       2.51659743       0.04940739      -2.47985871       0.53956100       0.22355700
H        2.90961392       0.12703698      -0.20500340      -0.45175400      -0.20268400
Li       2.46553076       0.00031391       2.57529214       0.38660800       0.26135700
H        2.51954593       2.21931247      -2.13331428      -0.48037500      -0.27748500
Li       2.55506814       2.62650917      -0.05129351       0.42988000       0.30841500
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.8917 1.56606 -0.10388" energy=-2867.9112432332363 pbc="F F F"
H       -1.65676741      -1.51315956      -1.26687294      -0.65198900      -0.26790900
Li      -1.67232750      -1.84087172       0.36008222       0.42348600       0.19094500
H       -1.61556421      -2.25618550       2.05817518      -0.41187200      -0.24257600
Li      -1.95670251      -0.10541930      -1.60421887       0.76436500       0.20386700
H       -1.21944977       0.08126220       0.40029075      -0.70467500      -0.21163600
Li      -1.94526820      -0.17571022       1.74481062       0.63483500       0.25331100
H       -2.36175561       1.37923004      -1.12077563      -0.47300700      -0.24782900
Li      -1.49665393       1.76790587       0.28989168       0.38139600       0.13396400
H       -1.62397054       1.82515193       2.33910678      -0.39661500      -0.25008800
Li       0.04762652      -1.85033738      -1.78204603       0.40081700       0.27365100
H       -0.19148453      -2.34622405      -0.13701497      -0.63429800      -0.22693800
Li       0.03106924      -2.04464484       1.47901600       0.50577600       0.14506900
H       -0.34353457       0.30445613      -1.98887974      -0.45934300      -0.17657600
Li       0.18187045       0.18072812      -0.23316997       0.21648000       0.07400600
H        0.42429504       0.38456331       2.12668538      -0.63367700      -0.22791200
Li      -0.58301602       2.42994326      -1.87668677       0.49948900       0.37042600
H       -0.09035699       1.99446467      -0.19024596      -0.62999700      -0.20582100
Li       0.17578811       1.89359258       2.22554968       0.57570400       0.29136600
H        1.98529223      -1.28580951      -1.63169744      -0.52983900      -0.23841900
Li       1.60302400      -2.41150366      -0.13775037       0.68660500       0.28297100
H        1.63091261      -2.06643133       1.80404661      -0.53218600      -0.25933900
Li       1.72072612       0.28649578      -1.94596300       0.73197300       0.15978300
H        2.34282061       0.36419909       0.42553838      -0.26523100      -0.17696200
Li       1.95340856      -0.36368648       2.65444068       0.57296200       0.35013700
H        2.38431154       1.91744366      -2.47960301      -0.41077100      -0.30449000
Li       1.98914882       2.41027676      -1.22315812       0.33961000       0.30598200
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.42542 1.73477 0.15471" energy=-2867.868886733438 pbc="F F F"
H       -1.70386255      -1.41800834      -1.34540867      -0.65776600      -0.27083800
Li      -1.68367326      -1.82672597       0.39168522       0.42782300       0.18590800
H       -1.69508457      -2.23169282       2.06059619      -0.40121600      -0.24256500
Li      -1.97764585      -0.09176886      -1.61832958       0.79866600       0.18749100
H       -1.25560961       0.09303774       0.33192885      -0.66477600      -0.20928700
Li      -1.93406298      -0.18669961       1.74505381       0.62776400       0.24055500
H       -2.47094742       1.32018385      -1.13143770      -0.43976300      -0.24359800
Li      -1.47855982       1.74164521       0.28473334       0.36302100       0.12514700
H       -1.61077700       1.87009077       2.33245043      -0.38508900      -0.25184500
Li       0.06992384      -1.84301182      -1.81041047       0.39201500       0.27876500
H       -0.21071010      -2.36318771      -0.11511882      -0.61431600      -0.22250400
Li       0.05556039      -2.02878027       1.49854944       0.54949700       0.13747300
H       -0.30116492       0.32473604      -1.98738390      -0.45281900      -0.17135000
Li       0.24797126       0.20822058      -0.19387921       0.10313500       0.06687400
H        0.34132560       0.19078746       2.06110380      -0.60705100      -0.20133900
Li      -0.59346978       2.40363505      -1.86512969       0.49443200       0.36622500
H       -0.02868077       1.93744714      -0.13301504      -0.63822000      -0.20339100
Li       0.19111694       1.90557202       2.22974358       0.56328500       0.29787600
H        1.98776798      -1.22396861      -1.67645755      -0.53658500      -0.23974600
Li       1.60450763      -2.40011063      -0.13663130       0.66827200       0.28285400
H        1.56267318      -2.15994345       1.71886997      -0.54258700      -0.26811100
Li       1.69142025       0.27710742      -1.96986578       0.72631400       0.15534800
H        2.21445278       0.40273583       0.53912986      -0.25040100      -0.17880500
Li       1.95894202      -0.36553168       2.64897532       0.53355600       0.36348900
H        2.39506641       1.87289161      -2.54771739      -0.38697200      -0.29423300
Li       1.96061427       2.40759685      -1.22011429       0.32978100       0.30932000
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.89177 1.95508 0.48449" energy=-2867.7868943663934 pbc="F F F"
H       -1.75534270      -1.37549278      -1.42811993      -0.64794600      -0.27291400
Li      -1.69682486      -1.81331288       0.41865369       0.44467200       0.18081900
H       -1.77761853      -2.19437240       2.06319532      -0.39178700      -0.24481200
Li      -1.99880428      -0.07369198      -1.63330450       0.80003700       0.17330400
H       -1.30208985       0.08863088       0.26085496      -0.63996300      -0.20627400
Li      -1.92202942      -0.19606230       1.74992910       0.61457200       0.22847000
H       -2.58418796       1.29444728      -1.14731206      -0.40666100      -0.23903400
Li      -1.46498859       1.71522170       0.28175463       0.33950700       0.11994700
H       -1.60032308       1.91583943       2.31637349      -0.37437800      -0.25206100
Li       0.09038851      -1.83432263      -1.83907254       0.39533800       0.28078200
H       -0.20923715      -2.38557864      -0.09881571      -0.58944600      -0.21734000
Li       0.07823110      -2.01217985       1.52142858       0.57543200       0.13164800
H       -0.24122712       0.35020275      -1.99182427      -0.44797300      -0.16851700
Li       0.31607514       0.23510978      -0.15276175       0.05782800       0.06407800
H        0.26007171      -0.01019001       2.01044219      -0.59216300      -0.18431100
Li      -0.60567133       2.37395101      -1.85350632       0.48988700       0.35900400
H        0.06279542       1.90978097      -0.08677083      -0.63830700      -0.19969100
Li       0.20514520       1.91668405       2.23285059       0.56436900       0.30916600
H        1.98017978      -1.19398486      -1.71829617      -0.54234100      -0.24049800
Li       1.60805515      -2.38738652      -0.13463813       0.64872500       0.28046500
H        1.52193974      -2.25530904       1.64043726      -0.54911400      -0.27643900
Li       1.66280813       0.26894960      -1.99533916       0.67783100       0.15070100
H        2.08647378       0.45168248       0.64360007      -0.25752600      -0.18414500
Li       1.96358274      -0.36882826       2.63977377       0.50526600       0.37827000
H        2.40233348       1.82144068      -2.63613658      -0.36132400      -0.28255400
Li       1.93196952       2.40577697      -1.21073169       0.32546500       0.31159000
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="2.27739 2.20714 0.8339" energy=-2867.890921065596 pbc="F F F"
H       -1.80552917      -1.39786250      -1.51228580      -0.61599400      -0.27127100
Li      -1.71150072      -1.80080036       0.44008493       0.47367100       0.17593900
H       -1.86038709      -2.14551433       2.06718140      -0.38274600      -0.24872000
Li      -2.01987228      -0.05002802      -1.64909436       0.75765800       0.16191100
H       -1.35519534       0.06852816       0.18954400      -0.62870900      -0.20308500
Li      -1.90892098      -0.20363921       1.75902825       0.59082400       0.21856300
H       -2.69758905       1.30428949      -1.16604877      -0.36966900      -0.23430000
Li      -1.45552960       1.68897864       0.28042352       0.30722000       0.11796800
H       -1.59044577       1.96119456       2.29148005      -0.36467400      -0.25051800
Li       0.10855212      -1.82431552      -1.86772312       0.41317000       0.27880600
H       -0.19019795      -2.41101620      -0.09059893      -0.56327900      -0.21208900
Li       0.09735566      -1.99466481       1.54729036       0.57146900       0.12800600
H       -0.16939579       0.38154481      -1.99962029      -0.44846400      -0.16948200
Li       0.38483340       0.26066312      -0.10968585       0.10273200       0.06725100
H        0.17881796      -0.20964392       1.97646991      -0.58664300      -0.18037200
Li      -0.61951712       2.34102228      -1.84193228       0.48765600       0.35025900
H        0.17358272       1.91429304      -0.05141849      -0.62919800      -0.19552700
Li       0.21797301       1.92590311       2.23452625       0.56555500       0.32211900
H        1.96493488      -1.19903247      -1.75342839      -0.54335000      -0.23956000
Li       1.61340030      -2.37364186      -0.13214432       0.62645000       0.27455600
H        1.51938423      -2.35268276       1.57237140      -0.54129400      -0.28030200
Li       1.63476158       0.26267442      -2.02291296       0.59334600       0.14785400
H        1.96641435       0.51036171       0.74148806      -0.30188700      -0.19270600
Li       1.96710090      -0.37387405       2.62668824       0.49084100       0.39255700
H        2.40314396       1.76948333      -2.72889439      -0.33788100      -0.27222100
Li       1.90377896       2.40404291      -1.19718989       0.33319800       0.31435700
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="2.57272 2.45542 1.16016" energy=-2868.051322512263 pbc="F F F"
H       -1.85259538      -1.47820216      -1.59974914      -0.55945300      -0.26526400
Li      -1.72725114      -1.78958119       0.45545266       0.50482600       0.17178400
H       -1.94198506      -2.08710295       2.07360321      -0.37407600      -0.25318900
Li      -2.04049173      -0.02169825      -1.66516110       0.66985000       0.15404300
H       -1.41081521       0.03526500       0.12108600      -0.62550500      -0.20008900
Li      -1.89467137      -0.20937418       1.77196795       0.55946600       0.21169300
H       -2.80597826       1.34797504      -1.18686476      -0.32270000      -0.22938200
Li      -1.44954747       1.66329861       0.28034142       0.26541300       0.11853300
H       -1.57881313       2.00426839       2.25847258      -0.35608700      -0.24764300
Li       0.12407275      -1.81321374      -1.89612779       0.44035100       0.27266300
H       -0.15822705      -2.43639970      -0.09090839      -0.53978900      -0.20749900
Li       0.11249405      -1.97673231       1.57571699       0.54564200       0.12810300
H       -0.09274537       0.41878877      -2.00778156      -0.45833600      -0.17418600
Li       0.45284677       0.28420883      -0.06486380       0.19127600       0.07672500
H        0.09850348      -0.40009634       1.95964850      -0.58875200      -0.18953900
Li      -0.63485747       2.30513828      -1.83058001       0.49350700       0.34095100
H        0.29148869       1.95144428      -0.02682349      -0.61050000      -0.19176900
Li       0.22971200       1.93304101       2.23450596       0.56405400       0.33305000
H        1.94404156      -1.23670528      -1.77933015      -0.53772600      -0.23686000
Li       1.62032011      -2.35925839      -0.12969790       0.60000700       0.26506300
H        1.55649141      -2.45167530       1.51792979      -0.51468100      -0.27832700
Li       1.60750737       0.25829895      -2.05306458       0.49942100       0.14775500
H        1.86197352       0.57829741       0.83773908      -0.37795000      -0.20296000
Li       1.96927498      -0.38085231       2.60973302       0.49283300       0.40383000
H        2.39595100       1.72162042      -2.81454417      -0.31722000      -0.26481000
Li       1.87644868       2.40193836      -1.18110144       0.35613100       0.31743800
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="2.7716 2.65449 1.43208" energy=-2867.955281124577 pbc="F F F"
H       -1.89646651      -1.59595931      -1.69256389      -0.48561600      -0.25670400
Li      -1.74362594      -1.78012586       0.46455128       0.52650600       0.16920500
H       -2.02200722      -2.02158648       2.08291951      -0.36712100      -0.25720900
Li      -2.06050601       0.00887068      -1.68099698       0.55571800       0.15038000
H       -1.46513012      -0.00679117       0.05903245      -0.62505300      -0.19701600
Li      -1.87937245      -0.21325958       1.78835317       0.53110000       0.20771000
H       -2.90313634       1.42077520      -1.20982303      -0.26948800      -0.22447000
Li      -1.44658438       1.63847129       0.28127979       0.22036100       0.12099700
H       -1.56340707       2.04270579       2.21799188      -0.34890800      -0.24434200
Li       0.13667697      -1.80139393      -1.92411142       0.46477800       0.26317300
H       -0.11834911      -2.45861071      -0.09846411      -0.52020100      -0.20412500
Li       0.12443012      -1.96040982       1.60591252       0.51558800       0.13325900
H       -0.01983465       0.46139985      -2.01326257      -0.47905000      -0.18176300
Li       0.51888216       0.30528278      -0.01881401       0.25622100       0.09164800
H        0.02163761      -0.56852669       1.96038272      -0.59524200      -0.20639900
Li      -0.65149384       2.26675509      -1.81961636       0.50900200       0.33152100
H        0.40540620       2.01867426      -0.01354932      -0.58628000      -0.18965700
Li       0.24058433       1.93834278       2.23265445       0.56245700       0.33979400
H        1.91899627      -1.29954820      -1.79484351      -0.52654500      -0.23325800
Li       1.62863125      -2.34462370      -0.12793841       0.57039800       0.25300200
H        1.62600878      -2.54932633       1.48078860      -0.47529300      -0.27151200
Li       1.58170482       0.25522965      -2.08617929       0.42543200       0.15031900
H        1.77968191       0.65503444       0.93974838      -0.45468100      -0.21316300
Li       1.96996621      -0.38987065       2.58906926       0.50474100       0.40992500
H        2.38057791       1.68064243      -2.88589109      -0.29957100      -0.26063800
Li       1.85028464       2.39933728      -1.16363454       0.39074700       0.31968500
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="2.883 2.75486 1.62341" energy=-2867.579533005319 pbc="F F F"
H       -1.93652355      -1.73007385      -1.79057293      -0.41477800      -0.24884500
Li      -1.76027385      -1.77293038       0.46746948       0.53791700       0.16871400
H       -2.10072705      -1.95187148       2.09481356      -0.36277800      -0.26048300
Li      -2.08013176       0.03936835      -1.69647057       0.45764200       0.15135700
H       -1.51473576      -0.05249735       0.00672091      -0.62368800      -0.19468000
Li      -1.86319541      -0.21526179       1.80784150       0.51207800       0.20477000
H       -2.98250200       1.51641635      -1.23511070      -0.22689800      -0.21935700
Li      -1.44640964       1.61476284       0.28308827       0.18641200       0.12461900
H       -1.54296771       2.07410897       2.17069570      -0.34411300      -0.24170100
Li       0.14608252      -1.78933902      -1.95153079       0.47793900       0.25208300
H       -0.07544822      -2.47468913      -0.11089499      -0.50385000      -0.20222500
Li       0.13453775      -1.94964938       1.63652321       0.49164300       0.14287500
H        0.03961135       0.50864287      -2.01307219      -0.50761800      -0.19012500
Li       0.58197660       0.32373189       0.02775711       0.26573700       0.10979000
H       -0.05009423      -0.69175815       1.98086232      -0.60112500      -0.22179500
Li      -0.66920539       2.22645514      -1.80921105       0.52340000       0.32192800
H        0.50635428       2.11013239      -0.01186328      -0.56323700      -0.19026800
Li       0.25091759       1.94221557       2.22896563       0.56544100       0.34147600
H        1.89139416      -1.37731086      -1.80010624      -0.51363500      -0.22995300
Li       1.63821186      -2.33011677      -0.12739553       0.53975900       0.24014800
H        1.71785745      -2.64073814       1.46412214      -0.43357100      -0.26169200
Li       1.55837663       0.25254492      -2.12255019       0.38234400       0.15526100
H        1.72339664       0.73990888       1.05569182      -0.50177000      -0.22240000
Li       1.96914637      -0.40092991       2.56502804       0.51527300       0.40974700
H        2.35776812       1.64803423      -2.93882368      -0.28609200      -0.25931100
Li       1.82560780       2.39636306      -1.14574598       0.42756800       0.32041900
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="2.92998 2.72132 1.71547" energy=-2867.2843753012985 pbc="F F F"
H       -1.97123663      -1.86530973      -1.89194829      -0.36411900      -0.24364600
Li      -1.77700729      -1.76842997       0.46456632       0.54613800       0.17024100
H       -2.17855733      -1.88116923       2.10807029      -0.35956500      -0.26331200
Li      -2.09982609       0.06834905      -1.71174184       0.40575000       0.15683700
H       -1.55708851      -0.09670452      -0.03347795      -0.62161700      -0.19332700
Li      -1.84635465      -0.21529705       1.83014156       0.50114600       0.20110300
H       -3.03815064       1.62816894      -1.26271415      -0.20466100      -0.21489400
Li      -1.44892878       1.59240908       0.28566750       0.17392100       0.12835000
H       -1.51713048       2.09643950       2.11728640      -0.34305600      -0.24055400
Li       0.15196661      -1.77758160      -1.97828119       0.47995500       0.24123400
H       -0.03410518      -2.48211596      -0.12486166      -0.49154700      -0.20173700
Li       0.14435978      -1.94902396       1.66591786       0.46268400       0.15485200
H        0.07640885       0.55953649      -2.00427241      -0.53914300      -0.19688200
Li       0.64170189       0.33970933       0.07423059       0.23781400       0.12914200
H       -0.11770019      -0.74317020       2.02484881      -0.59602700      -0.22821700
Li      -0.68779297       2.18495353      -1.79951393       0.52576400       0.31148500
H        0.58705058       2.21778293      -0.02033276      -0.54462400      -0.19391300
Li       0.26104788       1.94506578       2.22355999       0.57587400       0.33832400
H        1.86330117      -1.45948363      -1.79627053      -0.50394000      -0.22787500
Li       1.64905373      -2.31615501      -0.12828411       0.51021400       0.22854400
H        1.82331337      -2.72041810       1.46862939      -0.39724800      -0.25084500
Li       1.53863286       0.24929212      -2.16239393       0.36300300       0.16252100
H        1.69271730       0.83157097       1.19111485      -0.51489100      -0.23015700
Li       1.96690992      -0.41392407       2.53812704       0.51787300       0.40394500
H        2.32872858       1.62452616      -2.97118995      -0.27813300      -0.26020000
Li       1.80289249       2.39329400      -1.12841105       0.45843700       0.31978600
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="2.93429 2.54241 1.70036" energy=-2867.292647356687 pbc="F F F"
H       -1.99859095      -1.99201969      -1.99435191      -0.33456000      -0.24185500
Li      -1.79381656      -1.76695841       0.45644799       0.55680000       0.17339900
H       -2.25582988      -1.81302078       2.12077970      -0.35481100      -0.26570000
Li      -2.12009226       0.09511699      -1.72705377       0.39480100       0.16604000
H       -1.59056634      -0.13472873      -0.06043448      -0.62045100      -0.19289700
Li      -1.82910574      -0.21315492       1.85497558       0.49322600       0.19584500
H       -3.06540198       1.74939900      -1.29235782      -0.19805800      -0.21180800
Li      -1.45413127       1.57160831       0.28891864       0.18486400       0.13110800
H       -1.48637759       2.10830890       2.05868020      -0.34651300      -0.24129200
Li       0.15397883      -1.76663921      -2.00430321       0.47316800       0.23181900
H        0.00152138      -2.47906164      -0.13684168      -0.48458200      -0.20208000
Li       0.15497731      -1.96039895       1.69316114       0.41895700       0.16749400
H        0.08500439       0.61218389      -1.98433372      -0.56942000      -0.20130000
Li       0.69821744       0.35363030       0.12038982       0.20113500       0.14803900
H       -0.18158784      -0.71476777       2.09252259      -0.57788600      -0.22474400
Li      -0.70713023       2.14313017      -1.79061713       0.51634100       0.29926800
H        0.64112507       2.33319343      -0.03482139      -0.52811600      -0.19874300
Li       0.27121318       1.94727558       2.21669858       0.59490200       0.33099800
H        1.83726685      -1.53703619      -1.78518455      -0.50025800      -0.22737000
Li       1.66128533      -2.30323804      -0.13046032       0.48514500       0.21965800
H        1.93577598      -2.78323292       1.49187449      -0.36688900      -0.24015800
Li       1.52321388       0.24469909      -2.20583757       0.35623100       0.17203400
H        1.68345177       0.92745440       1.34561057      -0.50834700      -0.23651000
Li       1.96346545      -0.42866118       2.50907116       0.51262500       0.39336200
H        2.29497539       1.61051269      -2.98228612      -0.27649400      -0.26263400
Li       1.78282782       2.39046612      -1.11274063       0.47819100       0.31814600
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="2.9072 2.23127 1.57915" energy=-2867.3562907757073 pbc="F F F"
H       -2.01663933      -2.10420822      -2.09556610      -0.31919100      -0.24247900
Li      -1.81083735      -1.76869311       0.44386064       0.56696500       0.17748000
H       -2.33245222      -1.75096031       2.13069889      -0.34724200      -0.26727200
Li      -2.14135632       0.11940238      -1.74258425       0.40597400       0.17798700
H       -1.61455673      -0.16300661      -0.07435152      -0.62222200      -0.19311600
Li      -1.81184729      -0.20849321       1.88202151       0.48406500       0.18922000
H       -3.06104216       1.87379207      -1.32364291      -0.20007200      -0.21021100
Li      -1.46201051       1.55253040       0.29269285       0.21881900       0.13241700
H       -1.45200305       2.10907545       1.99634683      -0.35437300      -0.24387500
Li       0.15177112      -1.75696471      -2.02955617       0.45941000       0.22431000
H        0.02812333      -2.46441872      -0.14355624      -0.48283000      -0.20229600
Li       0.16632727      -1.98168636       1.71859668       0.37167200       0.18068400
H        0.06662059       0.66247032      -1.95191563      -0.59729700      -0.20359300
Li       0.75193417       0.36615356       0.16638810       0.17108600       0.16543200
H       -0.23531100      -0.62611474       2.17719941      -0.55558000      -0.21464500
Li      -0.72724726       2.10207216      -1.78253466       0.49991800       0.28491400
H        0.66361819       2.44891195      -0.04908735      -0.50989900      -0.20203100
Li       0.28147023       1.94922225       2.20876911       0.62091300       0.32023300
H        1.81611548      -1.60301275      -1.76933233      -0.50232900      -0.22814300
Li       1.67511306      -2.29191074      -0.13355380       0.46804800       0.21425800
H        2.04978394      -2.82473339       1.52945504      -0.34036000      -0.23000900
Li       1.51208553       0.23832718      -2.25285124       0.35642300       0.18374300
H        1.69051909       1.02382500       1.51304976      -0.49576500      -0.24164000
Li       1.95909560      -0.44489968       2.47869430       0.50090600       0.37831100
H        2.25821745       1.60626567      -2.97243167      -0.28140500      -0.26596500
Li       1.76618167       2.38814031      -1.09988557       0.48436700       0.31566800
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.19448 3.74439 0.97092" energy=-2863.644721378314 pbc="F F F"
H       -2.29571908      -2.49504221      -2.32332769      -0.45814800      -0.26629000
Li      -2.41912844      -2.50542573      -0.06857619       0.48211100       0.24883600
H       -2.28056680      -2.65831233       2.56497679      -0.43781000      -0.28291900
Li      -2.48343287      -0.02968186      -2.38289207       0.54035900       0.28476900
H       -2.39119770       0.11653239       0.26594673      -0.53899800      -0.19926300
Li      -2.47502526      -0.01138919       2.56067576       0.51245400       0.24567600
H       -2.06983265       2.44467532      -2.43339706      -0.48746800      -0.27718700
Li      -2.46481514       2.59869907       0.06476071       0.50836700       0.27497700
H       -2.54172136       2.34561472       2.63728539      -0.44469700      -0.28345800
Li      -0.07458834      -2.45975285      -2.39466399       0.47457000       0.21613200
H        0.06347310      -2.32619826       0.04807198      -0.55280100      -0.19248600
Li      -0.01383086      -2.48652787       2.46010364       0.45556600       0.22249700
H        0.03792106      -0.11512077      -2.57787043      -0.51224300      -0.20107700
Li       0.01536471       0.00783066      -0.10358554       0.57658600       0.11884200
H        0.50215574       0.06313130       2.72689604      -0.49905700      -0.21290300
Li      -0.08638699       2.61176198      -2.48535309       0.52073200       0.26496000
H        0.04876467       2.39756077       0.15395651      -0.55507100      -0.18996300
Li       0.04390459       2.53746723       2.47726872       0.39041700       0.31065400
H        2.62655027      -2.69221002      -2.29898019      -0.43373000      -0.29488300
Li       2.47784824      -2.54859794      -0.01333604       0.47062500       0.20932500
H        2.53460155      -2.18448297       2.52561329      -0.44383400      -0.28273100
Li       2.51153826       0.05675963      -2.47739867       0.54719400       0.22741600
H        3.01168374       0.17378445      -0.24783408      -0.43851500      -0.21059900
Li       2.44427005      -0.01549597       2.58691310       0.38575400       0.24280600
H        2.50094395       2.13025867      -2.01551360      -0.50113900      -0.27934100
Li       2.56102081       2.65101104      -0.08242217       0.43877600       0.30548900
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="2.84448 1.82589 1.36302" energy=-2867.2799419999196 pbc="F F F"
H       -2.02381508      -2.19841334      -2.19363088      -0.31156800      -0.24456800
Li      -1.82828534      -1.77361132       0.42754873       0.57166400       0.18198200
H       -2.40760618      -1.69792045       2.13574229      -0.33793300      -0.26784400
Li      -2.16389797       0.14120328      -1.75838954       0.42477800       0.19203400
H       -1.62939542      -0.17963374      -0.07652857      -0.62817800      -0.19384400
Li      -1.79522118      -0.20095387       1.91088046       0.47310300       0.18241200
H       -3.02338731       1.99538651      -1.35615261      -0.20662900      -0.21003700
Li      -1.47252168       1.53535328       0.29676368       0.27380400       0.13242500
H       -1.41591050       2.09879054       1.93248362      -0.36661800      -0.24793000
Li       0.14512345      -1.74888954      -2.05399676       0.43983700       0.21846900
H        0.04368158      -2.43778585      -0.14201190      -0.48593800      -0.20174900
Li       0.17761057      -2.00943347       1.74320084       0.33660800       0.19456900
H        0.02913910       0.70319685      -1.90749058      -0.62345000      -0.20438200
Li       0.80317827       0.37800834       0.21249485       0.15120100       0.18050400
H       -0.26710098      -0.50637282       2.26947005      -0.53481400      -0.20244900
Li      -0.74836979       2.06311154      -1.77520963       0.47856400       0.26873700
H        0.65251077       2.55931604      -0.05753936      -0.48781300      -0.20164100
Li       0.29163229       1.95130058       2.20024108       0.65042000       0.30694700
H        1.80206230      -1.65253355      -1.75167633      -0.50854200      -0.22969700
Li       1.69072250      -2.28267767      -0.13713931       0.46058500       0.21251600
H        2.16038616      -2.84137557       1.57657124      -0.31853800      -0.22091000
Li       1.50447038       0.23005020      -2.30315967       0.36521700       0.19740700
H        1.71083615       1.11618204       1.68457980      -0.48359500      -0.24515800
Li       1.95411056      -0.46235521       2.44786118       0.48325300       0.35923500
H        2.22033241       1.61224067      -2.94272185      -0.29329100      -0.26964300
Li       1.75347296       2.38643772      -1.09070166       0.47787300       0.31229500
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="2.73139 1.37447 1.07196" energy=-2867.1428631894614 pbc="F F F"
H       -2.01899868      -2.27295855      -2.28693755      -0.30777500      -0.24739700
Li      -1.84637453      -1.78151101       0.40817497       0.56891400       0.18650500
H       -2.47974124      -1.65581544       2.13429133      -0.32955700      -0.26750400
Li      -2.18782806       0.16068143      -1.77438769       0.44214400       0.20765200
H       -1.63625255      -0.18416123      -0.06888487      -0.63756600      -0.19504900
Li      -1.77992208      -0.19032988       1.94109104       0.46348500       0.17676000
H       -2.95239313       2.10875464      -1.38949351      -0.21571500      -0.21126500
Li      -1.48557756       1.52023041       0.30077418       0.34591800       0.13163000
H       -1.38040084       2.07823100       1.87022197      -0.38382400      -0.25287500
Li       0.13399187      -1.74261806      -2.07756691       0.41646400       0.21354100
H        0.04771614      -2.39945457      -0.12966161      -0.49388000      -0.20043300
Li       0.18811485      -2.04108346       1.76779821       0.32190900       0.20871900
H       -0.01618978       0.72471905      -1.85329596      -0.64775500      -0.20414400
Li       0.85205984       0.38981144       0.25890328       0.14165800       0.19249400
H       -0.26667764      -0.37810668       2.36209342      -0.51609800      -0.19099700
Li      -0.77086981       2.02779772      -1.76853249       0.45134600       0.25152100
H        0.61015192       2.66044851      -0.05807145      -0.46224800      -0.19725400
Li       0.30127934       1.95392225       2.19160478       0.67795300       0.29213000
H        1.79618016      -1.68257734      -1.73549762      -0.51713600      -0.23162600
Li       1.70819112      -2.27592551      -0.14084223       0.46252400       0.21425600
H        2.26315302      -2.83077855       1.62898113      -0.30350100      -0.21366100
Li       1.49931105       0.21995289      -2.35627482       0.38674200       0.21240900
H        1.74439648       1.19989183       1.85156624      -0.47147500      -0.24639100
Li       1.94882424      -0.48069481       2.41739544       0.45801100       0.33658100
H        2.18313291       1.62891639      -2.89472073      -0.31331300      -0.27332900
Li       1.74467441       2.38543148      -1.08543390       0.46277700       0.30804700
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="2.55553 0.91767 0.73153" energy=-2867.0859210942863 pbc="F F F"
H       -2.00151965      -2.32717106      -2.37412155      -0.30617800      -0.25060100
Li      -1.86527174      -1.79203633       0.38630172       0.56110300       0.19070700
H       -2.54679952      -1.62536140       2.12530913      -0.32415800      -0.26660200
Li      -2.21310910       0.17805722      -1.79041714       0.45331900       0.22444700
H       -1.63698809      -0.17766548      -0.05358479      -0.64803700      -0.19672100
Li      -1.76628493      -0.17668276       1.97227459       0.45795600       0.17308400
H       -2.84970020       2.20902033      -1.42323699      -0.22622800      -0.21419700
Li      -1.50104464       1.50730475       0.30418826       0.42867200       0.13069000
H       -1.34783786       2.04880584       1.81377016      -0.40633600      -0.25814900
Li       0.11851467      -1.73823018      -2.10017091       0.39164900       0.20856700
H        0.04120945      -2.35025845      -0.10478084      -0.50604700      -0.19868900
Li       0.19747794      -2.07523503       1.79282936       0.32687600       0.22269900
H       -0.05842738       0.71745161      -1.79247077      -0.66771100      -0.20211500
Li       0.89850768       0.40200675       0.30565251       0.14281500       0.20084900
H       -0.22984824      -0.25484053       2.45050602      -0.49913200      -0.18091800
Li      -0.79507755       1.99766140      -1.76240774       0.41714300       0.23426600
H        0.54304095       2.74894963      -0.05253115      -0.43607600      -0.19010000
Li       0.30994166       1.95743164       2.18324659       0.69674600       0.27670000
H        1.79819437      -1.69174966      -1.72396486      -0.52646500      -0.23363900
Li       1.72748840      -2.27188421      -0.14433323       0.47251200       0.21926100
H        2.35413620      -2.79175089       1.68297073      -0.29604700      -0.20886100
Li       1.49566510       0.20820879      -2.41159387       0.42156100       0.22785300
H        1.79288961       1.27098926       2.00748441      -0.45599400      -0.24516100
Li       1.94355764      -0.49952483       2.38804738       0.42360500       0.31080300
H        2.14815789       1.65644828      -2.83033341      -0.34215700      -0.27701100
Li       1.73917955       2.38529587      -1.08367750       0.44660900       0.30310200
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="2.31632 0.48227 0.37118" energy=-2867.155485651204 pbc="F F F"
H       -1.97119863      -2.36093402      -2.45402568      -0.30632600      -0.25412800
Li      -1.88506639      -1.80470341       0.36240302       0.55233700       0.19444000
H       -2.60652285      -1.60618993       2.10841634      -0.32190400      -0.26567800
Li      -2.23958019       0.19354703      -1.80628035       0.45743500       0.24217800
H       -1.63406483      -0.16280619      -0.03268507      -0.65700400      -0.19877800
Li      -1.75410740      -0.16028329       2.00422548       0.45735800       0.17186200
H       -2.71910451       2.29201784      -1.45687507      -0.23793500      -0.21971400
Li      -1.51874430       1.49672839       0.30635208       0.51180200       0.13040100
H       -1.32025463       2.01221339       1.76818637      -0.43303000      -0.26327300
Li       0.09898063      -1.73568333      -2.12166589       0.36801000       0.20273600
H        0.02655128      -2.29173310      -0.06695265      -0.52116100      -0.19687500
Li       0.20560863      -2.11111330       1.81852910       0.34522900       0.23653400
H       -0.09023266       0.67579023      -1.72819182      -0.68000000      -0.19693400
Li       0.94235298       0.41486326       0.35263411       0.15458600       0.20558000
H       -0.15915071      -0.14461874       2.53097550      -0.48466500      -0.17309000
Li      -0.82089861       1.97373020      -1.75681784       0.37755700       0.21813900
H        0.45978033       2.82160539      -0.04491236      -0.41315000      -0.18169400
Li       0.31738061       1.96202308       2.17541064       0.70103600       0.26181700
H        1.80676383      -1.68022076      -1.71957223      -0.53491300      -0.23553500
Li       1.74846312      -2.27060736      -0.14736038       0.48789600       0.22732100
H        2.42990225      -2.72433289       1.73533853      -0.29591600      -0.20664100
Li       1.49293314       0.19508886      -2.46853082       0.46434600       0.24283500
H        1.85709177       1.32729097       2.14806168      -0.43406500      -0.24167800
Li       1.93864605      -0.51844375       2.36050912       0.38238700       0.28289500
H        2.11638347       1.69390067      -2.75185391      -0.37856900      -0.28090500
Li       1.73606180       2.38635241      -1.08462400       0.43865800       0.29793500
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="2.02526 0.08517 0.01936" energy=-2867.263876840014 pbc="F F F"
H       -1.92834605      -2.37454391      -2.52566036      -0.30819200      -0.25799000
Li      -1.90574971      -1.81896121       0.33688518       0.54616100       0.19770100
H       -2.65680984      -1.59717496       2.08396193      -0.32184100      -0.26522000
Li      -2.26698328       0.20733578      -1.82177143       0.45669700       0.26051100
H       -1.63067169      -0.14327480      -0.00806878      -0.66299200      -0.20106900
Li      -1.74287141      -0.14147178       2.03685307       0.46126800       0.17323000
H       -2.56729538       2.35461505      -1.48972722      -0.25168300      -0.22904300
Li      -1.53846951       1.48867430       0.30661463       0.58366700       0.13156000
H       -1.29916499       1.97006915       1.73875827      -0.46108400      -0.26769800
Li       0.07577966      -1.73481681      -2.14187695       0.34772000       0.19552700
H        0.00728880      -2.22602642      -0.01705218      -0.53776500      -0.19515900
Li       0.21258120      -2.14817991       1.84504192       0.36972000       0.25038200
H       -0.10925895       0.60099689      -1.66372278      -0.68405000      -0.18813900
Li       0.98341310       0.42850210       0.39963294       0.17522200       0.20728700
H       -0.06161305      -0.05337852       2.59993341      -0.47366400      -0.16854100
Li      -0.84744050       1.95610301      -1.75179955       0.33932100       0.20462100
H        0.36881850       2.87557057      -0.03918403      -0.39644500      -0.17375700
Li       0.32375511       1.96775557       2.16826320       0.68924300       0.24905300
H        1.81997275      -1.64962877      -1.72373696      -0.54125100      -0.23720900
Li       1.77085029      -2.27196630      -0.14977578       0.50567500       0.23809200
H        2.48766751      -2.62980955       1.78332123      -0.30314800      -0.20693400
Li       1.49084682       0.18099773      -2.52654651       0.50731900       0.25658900
H        1.93533944       1.36876321       2.27050598      -0.40573600      -0.23652700
Li       1.93445798      -0.53707733       2.33541438       0.34030100       0.25429200
H        2.08819516       1.73858300      -2.66253453      -0.41946000      -0.28531300
Li       1.73436115       2.38900708      -1.08730512       0.44499700       0.29337000
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.70468 -0.26302 -0.29761" energy=-2867.2545234687173 pbc="F F F"
H       -1.87385553      -2.36864868      -2.58820908      -0.31186900      -0.26224700
Li      -1.92723595      -1.83422937       0.31014250       0.54385600       0.20060800
H       -2.69582888      -1.59680832       2.05282894      -0.32334500      -0.26552600
Li      -2.29500684       0.21954873      -1.83669685       0.45388100       0.27871500
H       -1.63028937      -0.12312061       0.01828536      -0.66571300      -0.20335500
Li      -1.73206192      -0.12061625       2.07007634       0.47001400       0.17691200
H       -2.40517119       2.39531349      -1.52078780      -0.26957600      -0.24266000
Li      -1.55998309       1.48337768       0.30451805       0.63769200       0.13458700
H       -1.28565926       1.92351903       1.72984082      -0.48783200      -0.27078700
Li       0.04936663      -1.73535996      -2.16063256       0.33118500       0.18691800
H       -0.01264787      -2.15568080       0.04313661      -0.55435100      -0.19358700
Li       0.21854757      -2.18603120       1.87241273       0.39475900       0.26435900
H       -0.11706499       0.50054551      -1.60279905      -0.68154100      -0.17735300
Li       1.02154993       0.44292247       0.44638962       0.19946800       0.20667900
H        0.05421699       0.01455998       2.65451273      -0.46722400      -0.16802300
Li      -0.87287427       1.94392907      -1.74739209       0.31104100       0.19511700
H        0.27725477       2.90878927      -0.03813368      -0.38735800      -0.16740800
Li       0.32952478       1.97462663       2.16196210       0.66515100       0.23959400
H        1.83588904      -1.60306260      -1.73653751      -0.54510900      -0.23861500
Li       1.79434182      -2.27564977      -0.15155902       0.52308100       0.25112100
H        2.52540806      -2.51084756       1.82452330      -0.31903300      -0.20985600
Li       1.48933458       0.16648810      -2.58510590       0.54444200       0.26856400
H        2.02393960       1.39689098       2.37262026      -0.37413300      -0.23135200
Li       1.93139634      -0.55509679       2.31332040       0.30747500       0.22666100
H        2.06375888       1.78570806      -2.56787186      -0.46135200      -0.29053200
Li       1.73321138       2.39371388      -1.09059674       0.46638900       0.29027600
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.38577 -0.55232 -0.55567" energy=-2866.9812965925253 pbc="F F F"
H       -1.80943158      -2.34437508      -2.64112925      -0.31740300      -0.26709500
Li      -1.94938624      -1.84993844       0.28254754       0.54446100       0.20334700
H       -2.72230795      -1.60357983       2.01644334      -0.32639300      -0.26668000
Li      -2.32331344       0.23025837      -1.85088087       0.44913400       0.29550000
H       -1.63643525      -0.10630460       0.04412386      -0.66452900      -0.20530400
Li      -1.72130155      -0.09810800       2.10376220       0.48374000       0.18225500
H       -2.25060485       2.41567419      -1.54834350      -0.29535100      -0.25895000
Li      -1.58301792       1.48116109       0.29997103       0.67307100       0.13917200
H       -1.28054197       1.87309369       1.74370436      -0.51174000      -0.27213100
Li       0.02027088      -1.73695023      -2.17777337       0.31740300       0.17764800
H       -0.02961768      -2.08372565       0.11094835      -0.56947100      -0.19211200
Li       0.22369688      -2.22426050       1.90070367       0.41688200       0.27849400
H       -0.11673813       0.38457040      -1.54969326      -0.67125500      -0.16684300
Li       1.05670921       0.45802017       0.49264816       0.22343000       0.20475000
H        0.17970824       0.05652353       2.69262494      -0.46604400      -0.17149800
Li      -0.89430178       1.93569005      -1.74367499       0.29932300       0.19006100
H        0.19052834       2.92013305      -0.04315285      -0.38620500      -0.16285700
Li       0.33521975       1.98262951       2.15668911       0.63552000       0.23428900
H        1.85292417      -1.54491301      -1.75679798      -0.54697000      -0.23979800
Li       1.81865711      -2.28118043      -0.15281038       0.53827100       0.26580500
H        2.54209943      -2.37188990       1.85674183      -0.34596200      -0.21584500
Li       1.48843249       0.15221482      -2.64365755       0.57179000       0.27830200
H        2.11850588       1.41374642       2.45240954      -0.34466100      -0.22650300
Li       1.92989207      -0.57216338       2.29469270       0.29568400       0.20171600
H        2.04337314       1.82841038      -2.47680203      -0.50057100      -0.29626000
Li       1.73185553       2.40100410      -1.09309413       0.49784400       0.28949600
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.10259 -0.77041 -0.73458" energy=-2866.4686000561783 pbc="F F F"
H       -1.73782408      -2.30350663      -2.68430438      -0.32479300      -0.27285500
Li      -1.97201552      -1.86559607       0.25444574       0.54724700       0.20593800
H       -2.73563245      -1.61626798       1.97668607      -0.33121400      -0.26856000
Li      -2.35155597       0.23949990      -1.86418519       0.44207200       0.30875200
H       -1.65225515      -0.09593053       0.06710635      -0.65978200      -0.20685100
Li      -1.71035802      -0.07438855       2.13771047       0.50289500       0.18844100
H       -2.13043859       2.42217794      -1.56968802      -0.32725100      -0.27314400
Li      -1.60726277       1.48240150       0.29333731       0.69136100       0.14403200
H       -1.28435069       1.81895522       1.77971746      -0.53160800      -0.27185600
Li      -0.01086086      -1.73916787      -2.19316078       0.30468700       0.16859900
H       -0.04068672      -2.01318825       0.18326660      -0.58184900      -0.19062500
Li       0.22823011      -2.26248109       1.92994477       0.43340300       0.29258400
H       -0.11138722       0.26307085      -1.50850550      -0.65391000      -0.15852000
Li       1.08893742       0.47360334       0.53818307       0.24090800       0.20220300
H        0.30669262       0.07207576       2.71315235      -0.47098000      -0.17833900
Li      -0.90764550       1.92932821      -1.74087148       0.30501400       0.18792800
H        0.11263439       2.90922543      -0.05448370      -0.39328400      -0.16024900
Li       0.34125423       1.99174385       2.15263201       0.60560900       0.23347300
H        1.87000252      -1.48048134      -1.78253247      -0.54750100      -0.24100500
Li       1.84354627      -2.28795261      -0.15368712       0.55140800       0.28120900
H        2.53805479      -2.21969028       1.87775234      -0.38639600      -0.22536300
Li       1.48816629       0.13876588      -2.70163141       0.59085400       0.28508400
H        2.21488964       1.42139813       2.50820476      -0.32183500      -0.22281200
Li       1.93034587      -0.58783422       2.27990664       0.31676700       0.18110500
H        2.02796248       1.85887130      -2.40164714      -0.53270100      -0.30129900
Li       1.72960990       2.41150086      -1.09307976       0.53087800       0.29146400
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.88358 -0.90205 -0.81813" energy=-2866.0072766259696 pbc="F F F"
H       -1.66309449      -2.24853313      -2.71821521      -0.33403600      -0.27975700
Li      -1.99487323      -1.88081777       0.22615565       0.55142600       0.20842800
H       -2.73579883      -1.63398805       1.93576122      -0.33828300      -0.27094600
Li      -2.37941864       0.24726583      -1.87651088       0.43586600       0.31669800
H       -1.68021123      -0.09339604       0.08494039      -0.65161300      -0.20800900
Li      -1.69913040      -0.04997866       2.17166961       0.52692400       0.19483700
H       -2.07491194       2.42534416      -1.58185628      -0.34461400      -0.27981500
Li      -1.63240127       1.48737459       0.28532241       0.69705400       0.14790100
H       -1.29708812       1.76153418       1.83466933      -0.54635700      -0.27050600
Li      -0.04325550      -1.74156223      -2.20667292       0.29321300       0.16068500
H       -0.04391537      -1.94704919       0.25678584      -0.58988200      -0.18918300
Li       0.23233515      -2.30029246       1.96013258       0.44287100       0.30632100
H       -0.10359349       0.14502072      -1.48246825      -0.63267700      -0.15423900
Li       1.11836308       0.48940011       0.58280157       0.24868000       0.19955400
H        0.42709881       0.06312475       2.71602819      -0.48110600      -0.18772600
Li      -0.90848364       1.92250057      -1.73929759       0.30180100       0.18613000
H        0.04643987       2.87635640      -0.07141354      -0.40933600      -0.16001500
Li       0.34787248       2.00190407       2.14996119       0.57771000       0.23698200
H        1.88678964      -1.41548620      -1.81156850      -0.54685400      -0.24235400
Li       1.86879225      -2.29529743      -0.15432149       0.56186400       0.29609300
H        2.51551864      -2.06416563       1.88501121      -0.44010800      -0.23816400
Li       1.48849318       0.12653756      -2.75850021       0.60593400       0.28813300
H        2.30935292       1.42180696       2.53880619      -0.30756800      -0.22038900
Li       1.93310039      -0.60143014       2.26927500       0.37615600       0.16623200
H        2.01885898       1.87013205      -2.35529829      -0.55266400      -0.30378000
Li       1.72591322       2.42581002      -1.08883801       0.55559700       0.29593000
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.74855 -0.93456 -0.7926" energy=-2865.8307472453416 pbc="F F F"
H       -1.59113229      -2.18271036      -2.74425709      -0.34466400      -0.28762300
Li      -2.01765775      -1.89530815       0.19795863       0.55692100       0.21080100
H       -2.72328555      -1.65616120       1.89605946      -0.34818900      -0.27355900
Li      -2.40665286       0.25355445      -1.88778623       0.43234700       0.31852400
H       -1.72173234      -0.09823737       0.09551166      -0.64008600      -0.20876500
Li      -1.68763529      -0.02551755       2.20536585       0.55495300       0.20099100
H       -2.09972480       2.43192643      -1.58393125      -0.32887800      -0.27660900
Li      -1.65817114       1.49613149       0.27677633       0.69612000       0.15025900
H       -1.31789469       1.70245487       1.90366919      -0.55629600      -0.26884900
Li      -0.07592959      -1.74367868      -2.21816710       0.28566200       0.15474800
H       -0.03850216      -1.88800340       0.32820107      -0.59272000      -0.18746600
Li       0.23616477      -2.33728249       1.99121583       0.44497900       0.31898400
H       -0.09541718       0.03804583      -1.47349423      -0.60839700      -0.15402800
Li       1.14517626       0.50507626       0.62635128       0.25021100       0.19712900
H        0.53244374       0.03404519       2.70240341      -0.49299300      -0.19859600
Li      -0.89459002       1.91364107      -1.73904092       0.26343400       0.18319700
H       -0.00598967       2.82248713      -0.09252491      -0.43471600      -0.16247400
Li       0.35514142       2.01295805       2.14882557       0.55190800       0.24440600
H        1.90357624      -1.35556197      -1.84181142      -0.54472500      -0.24367600
Li       1.89418247      -2.30253661      -0.15480104       0.56875800       0.30860300
H        2.47979176      -1.92034671       1.87490142      -0.50011000      -0.25257900
Li       1.48931804       0.11573397      -2.81384396       0.61787700       0.28706800
H        2.39860194       1.41680323       2.54356681      -0.30057500      -0.21874800
Li       1.93834526      -0.61174926       2.26313747       0.46123500       0.15788300
H        2.01652275       1.85844580      -2.34555723      -0.55740200      -0.30249300
Li       1.72047036       2.44422049      -1.07939794       0.56534600       0.30241900
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-0.44562 3.75468 0.44725" energy=-2863.893395572899 pbc="F F F"
H       -2.23838915      -2.47320105      -2.26027070      -0.47041500      -0.26416700
Li      -2.40147295      -2.50918195      -0.09000682       0.48135500       0.25522400
H       -2.20768931      -2.66754082       2.55257581      -0.44181500      -0.28327000
Li      -2.47965714      -0.04263297      -2.35852482       0.54754500       0.29871100
H       -2.36119495       0.13813655       0.31529996      -0.54495200      -0.19980800
Li      -2.47281217      -0.01916815       2.56459498       0.51965600       0.25120600
H       -1.96231147       2.41398028      -2.39690009      -0.50967300      -0.28009800
Li      -2.45866191       2.61006998       0.07442248       0.51174500       0.28723100
H       -2.52072013       2.28845702       2.64060012      -0.45150000      -0.28373500
Li      -0.09712353      -2.45226322      -2.37235746       0.47120100       0.21634100
H        0.07292264      -2.27860833       0.05703169      -0.56183900      -0.19174800
Li      -0.02279659      -2.48636539       2.44158895       0.44880400       0.22558000
H        0.04114218      -0.14549209      -2.58068762      -0.51362600      -0.20197700
Li       0.01257558       0.00272758      -0.13416718       0.63646600       0.12530400
H        0.62283023       0.10953319       2.76855530      -0.50047100      -0.22748100
Li      -0.11246613       2.62637623      -2.48457746       0.53040200       0.27311400
H        0.07514357       2.37828193       0.21027588      -0.56096700      -0.19249800
Li       0.03981313       2.53391323       2.46186376       0.39057700       0.30353600
H        2.62398827      -2.71745754      -2.23068582      -0.43419700      -0.29698700
Li       2.46435699      -2.56199503      -0.02368307       0.46458600       0.20726200
H        2.51660565      -2.09319759       2.50540430      -0.45186200      -0.28347200
Li       2.50552505       0.06406652      -2.47269240       0.55175800       0.23357500
H        3.10531476       0.22480996      -0.27865808      -0.42880400      -0.21859800
Li       2.42192780      -0.03493722       2.59698320       0.39039000       0.22540800
H        2.47391057       2.04940097      -1.89936003      -0.52214800      -0.28145800
Li       2.56570759       2.67213973      -0.11675922       0.44778500       0.30237600
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.71337 -0.86498 -0.64791" energy=-2865.7732606507943 pbc="F F F"
H       -1.53033409      -2.11005671      -2.76517978      -0.35537300      -0.29552800
Li      -2.04003985      -1.90884688       0.17006854       0.56483000       0.21291300
H       -2.69894933      -1.68246900       1.86018860      -0.36125300      -0.27608900
Li      -2.43306896       0.25837899      -1.89796082       0.42618200       0.31380700
H       -1.77723110      -0.10835878       0.09713824      -0.62610100      -0.20927100
Li      -1.67598518      -0.00183294       2.23855839       0.58622300       0.20651300
H       -2.19264878       2.43779559      -1.57835776      -0.29889700      -0.26567800
Li      -1.68443400       1.50843824       0.26847412       0.68944900       0.15111400
H       -1.34459804       1.64543821       1.98128125      -0.56316600      -0.26764800
Li      -0.10759102      -1.74507233      -2.22741493       0.28331500       0.15096000
H       -0.02475014      -1.83841990       0.39437970      -0.59033100      -0.18592600
Li       0.23982584      -2.37306104       2.02306462       0.44125100       0.32961100
H       -0.08862067      -0.05123461      -1.48217768      -0.58342600      -0.15707300
Li       1.16962761       0.52024645       0.66870621       0.25143700       0.19465700
H        0.61338420      -0.00866339       2.67493927      -0.50400900      -0.20978100
Li      -0.86782016       1.90288730      -1.73981300       0.21834000       0.17977400
H       -0.04310973       2.74941322      -0.11567778      -0.46810700      -0.16724900
Li       0.36294815       2.02467292       2.14934522       0.52974400       0.25504400
H        1.92095609      -1.30563394      -1.87144085      -0.54100600      -0.24481700
Li       1.91950758      -2.30904058      -0.15517769       0.57359900       0.31638900
H        2.43978519      -1.80920212       1.84179978      -0.55331200      -0.26477900
Li       1.49050482       0.10636429      -2.86737255       0.62408200       0.28204200
H        2.47965434       1.40786756       2.52234366      -0.29714300      -0.21761400
Li       1.94609488      -0.61685320       2.26202194       0.54215300       0.15583700
H        2.01948122       1.82548176      -2.37046838      -0.54955600      -0.29771700
Li       1.71339807       2.46640274      -1.06516269       0.56107400       0.31072200
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.78586 -0.70446 -0.38277" energy=-2865.74250632386 pbc="F F F"
H       -1.49126261      -2.03484072      -2.78511590      -0.36449900      -0.30191900
Li      -2.06169390      -1.92127882       0.14265018       0.57629300       0.21470100
H       -2.66380940      -1.71275311       1.83079875      -0.37704400      -0.27823200
Li      -2.45855320       0.26175891      -1.90700304       0.41304900       0.30298800
H       -1.84620973      -0.12057941       0.08868747      -0.61088200      -0.20982600
Li      -1.66438252       0.01999489       2.27106354       0.61891300       0.21101600
H       -2.32535358       2.43310834      -1.56887805      -0.28050600      -0.25249800
Li      -1.71120078       1.52382251       0.26098936       0.67761700       0.15131800
H       -1.37374919       1.59663276       2.06217930      -0.56816300      -0.26730000
Li      -0.13670739      -1.74535545      -2.23406677       0.28566100       0.14900800
H       -0.00398618      -1.80004585       0.45224942      -0.58408600      -0.18521500
Li       0.24337256      -2.40727989       2.05545050       0.43647800       0.33778700
H       -0.08450336      -0.11725641      -1.50789357      -0.56122400      -0.16252600
Li       1.19200104       0.53448804       0.70971395       0.25892800       0.19188700
H        0.66019497      -0.05732324       2.63761375      -0.51616200      -0.21968800
Li      -0.83233873       1.89126868      -1.74122275       0.20243600       0.17784000
H       -0.06382091       2.65975708      -0.13820690      -0.50701000      -0.17347900
Li       0.37105035       2.03677969       2.15161419       0.51439100       0.26774500
H        1.93967923      -1.26959409      -1.89893940      -0.53584900      -0.24567700
Li       1.94456482      -2.31427934      -0.15548943       0.57939300       0.31758400
H        2.40568067      -1.75239763       1.77847878      -0.58749700      -0.27108200
Li       1.49188172       0.09825444      -2.91892458       0.62215900       0.27413200
H        2.54968335       1.39610932       2.47545310      -0.29438100      -0.21705800
Li       1.95646310      -0.61470147       2.26668914       0.58947400       0.15902200
H        2.02478334       1.77791225      -2.42012553      -0.53588500      -0.29115500
Li       1.70514735       2.49146737      -1.04762445       0.54839700       0.32094700
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="0.95892 -0.47288 -0.01298" energy=-2865.90531453449 pbc="F F F"
H       -1.48434096      -1.96046886      -2.80877448      -0.36982100      -0.30498500
Li      -2.08232618      -1.93249530       0.11583779       0.59198400       0.21607200
H       -2.61884898      -1.74694310       1.81036886      -0.39417400      -0.27965600
Li      -2.48306818       0.26370868      -1.91490827       0.39569400       0.28726200
H       -1.92734505      -0.13153592       0.06974150      -0.59581500      -0.21081100
Li      -1.65305878       0.03867980       2.30274740       0.64876600       0.21396800
H       -2.47184470       2.41088174      -1.55816505      -0.27644600      -0.24224300
Li      -1.73863113       1.54166391       0.25463404       0.66217600       0.15213300
H       -1.40153688       1.56409958       2.14183691      -0.57028100      -0.26758600
Li      -0.16180643      -1.74432698      -2.23772484       0.28974100       0.14827200
H        0.02171012      -1.77420468       0.49904022      -0.57704800      -0.18566000
Li       0.24678827      -2.43964370       2.08801630       0.43462800       0.34343700
H       -0.08402622      -0.15551277      -1.54912889      -0.54508900      -0.16953100
Li       1.21256859       0.54739763       0.74914161       0.27848700       0.18870900
H        0.66471562      -0.10480220       2.59484049      -0.53093700      -0.22579100
Li      -0.79190651       1.87945208      -1.74309885       0.21535100       0.17885600
H       -0.06741403       2.55693907      -0.15719441      -0.54873800      -0.17995500
Li       0.37914528       2.04902400       2.15569429       0.50585200       0.28093300
H        1.96022516      -1.24994080      -1.92331683      -0.52934600      -0.24616300
Li       1.96914678      -2.31787194      -0.15580938       0.58904600       0.31149300
H        2.38286624      -1.75848361       1.68123370      -0.60020800      -0.27119400
Li       1.49328395       0.09108874      -2.96842781       0.61446200       0.26511200
H        2.60591913       1.38221383       2.40371477      -0.29192500      -0.21738300
Li       1.97030477      -0.60493271       2.27759967       0.59284200       0.16670800
H        2.02935476       1.72470586      -2.48245297      -0.52233300      -0.28490400
Li       1.69628728       2.51831283      -1.02853155       0.53313400       0.33292400
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.21168 -0.19083 0.43013" energy=-2866.2608801578535 pbc="F F F"
H       -1.51554271      -1.88844415      -2.83928083      -0.36969600      -0.30377500
Li      -2.10171692      -1.94241596       0.08973992       0.61102400       0.21715400
H       -2.56482353      -1.78494459       1.80099113      -0.41067700      -0.28004300
Li      -2.50663766       0.26421808      -1.92171471       0.37748300       0.26774600
H       -2.01873885      -0.13825432       0.04063325      -0.58127500      -0.21244800
Li      -1.64219175       0.05296084       2.33349907       0.67012000       0.21489000
H       -2.61475901       2.36913409      -1.54745441      -0.28030900      -0.23687400
Li      -1.76698722       1.56127288       0.24952853       0.64275600       0.15420100
H       -1.42466111       1.55599928       2.21663903      -0.56674100      -0.26770500
Li      -0.18208139      -1.74206805      -2.23819712       0.29295700       0.14846900
H        0.04993437      -1.76182689       0.53245497      -0.57158500      -0.18709300
Li       0.24997808      -2.46992853       2.12028539       0.43505300       0.34620500
H       -0.08774393      -0.16277813      -1.60397693      -0.53705100      -0.17727900
Li       1.23152201       0.55865033       0.78665586       0.31040500       0.18484300
H        0.62424737      -0.14657298       2.54992624      -0.54521400      -0.22573300
Li      -0.74896108       1.86745053      -1.74552757       0.24408600       0.18256500
H       -0.05359087       2.44502449      -0.16961618      -0.59073200      -0.18519300
Li       0.38691537       2.06118043       2.16160326       0.50111200       0.29292000
H        1.98256796      -1.24771270      -1.94418936      -0.52201500      -0.24625400
Li       1.99302674      -2.31963296      -0.15635044       0.60385400       0.29883100
H        2.36947461      -1.81525012       1.55660126      -0.60281900      -0.26809500
Li       1.49455730       0.08445222      -3.01584559       0.60557000       0.25676300
H        2.64574827       1.36657592       2.30859893      -0.29073000      -0.21886300
Li       1.98902752      -0.58969193       2.29422668       0.56619000       0.17920300
H        2.03100798       1.67464462      -2.54740202      -0.51170100      -0.28023600
Li       1.68733782       2.54592685      -1.00930912       0.51993400       0.34567600
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.51676 0.11258 0.90539" energy=-2866.627548618046 pbc="F F F"
H       -1.58320337      -1.81846350      -2.87624122      -0.36534800      -0.29875700
Li      -2.11973981      -1.95096823       0.06446593       0.63036700       0.21825000
H       -2.50214309      -1.82651865       1.80405862      -0.42482500      -0.27927100
Li      -2.52932514       0.26324412      -1.92751382       0.35929000       0.24532600
H       -2.11814208      -0.13886108       0.00243500      -0.56766300      -0.21492100
Li      -1.63185512       0.06200817       2.36319193       0.67936400       0.21380700
H       -2.74369021       2.30938316      -1.53703394      -0.28736700      -0.23579100
Li      -1.79652847       1.58201338       0.24563708       0.61891600       0.15762500
H       -1.44111608       1.57754082       2.28426150      -0.55492200      -0.26679500
Li      -0.19780791      -1.73883910      -2.23570228       0.29725200       0.14991800
H        0.07835105      -1.76327109       0.55076625      -0.56884200      -0.18896300
Li       0.25276167      -2.49799287       2.15170051       0.43637000       0.34617800
H       -0.09590071      -0.13782333      -1.67064934      -0.53842000      -0.18522300
Li       1.24892954       0.56803386       0.82179945       0.35168400       0.18014700
H        0.54502909      -0.18166673       2.50447789      -0.55660000      -0.21941000
Li      -0.70490858       1.85490643      -1.74875824       0.28068100       0.18764600
H       -0.02259033       2.32810050      -0.17246273      -0.63098800      -0.18825200
Li       0.39405722       2.07307475       2.16928626       0.49638000       0.30228100
H        2.00604503      -1.26260878      -1.96178547      -0.51527000      -0.24605700
Li       2.01592628      -2.31960991      -0.15764089       0.62379600       0.28218300
H        2.36178198      -1.90011734       1.42100586      -0.60775400      -0.26667300
Li       1.49555636       0.07786783      -3.06114290       0.59860400       0.25046700
H        2.66694910       1.34941543       2.19248554      -0.29176800      -0.22166800
Li       2.01330706      -0.57199514       2.31527045       0.53033900       0.19725600
H        2.02869968       1.63526699      -2.60803336      -0.50400800      -0.27728100
Li       1.67871764       2.57351047      -0.99090342       0.51073500       0.35760400
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="1.84361 0.39893 1.36822" energy=-2866.8355778112973 pbc="F F F"
H       -1.67926514      -1.74959845      -2.91588072      -0.35995100      -0.29157100
Li      -2.13636981      -1.95806436       0.04013572       0.64561000       0.21970500
H       -2.43094434      -1.87121076       1.82008369      -0.43588600      -0.27743200
Li      -2.55121691       0.26071142      -1.93247284       0.34126900       0.22106700
H       -2.22296636      -0.13298103      -0.04282514      -0.55499800      -0.21807400
Li      -1.62202645       0.06574420       2.39169267       0.67827300       0.21144500
H       -2.85243067       2.23509017      -1.52680897      -0.29487600      -0.23739600
Li      -1.82747729       1.60332858       0.24284762       0.58996800       0.16230500
H       -1.45048786       1.62871612       2.34341301      -0.53488300      -0.26455000
Li      -0.21012107      -1.73482742      -2.23079622       0.30589600       0.15332700
H        0.10499039      -1.77829554       0.55271586      -0.56854300      -0.19064300
Li       0.25488507      -2.52377625       2.18168099       0.43922900       0.34390300
H       -0.10851261      -0.08212558      -1.74783737      -0.54883100      -0.19331100
Li       1.26472378       0.57544689       0.85399934       0.40050900       0.17461500
H        0.44123503      -0.21114418       2.45944141      -0.56727700      -0.20896900
Li      -0.66056263       1.84137721      -1.75308747       0.32164500       0.19269600
H        0.02457421       2.20997070      -0.16322446      -0.66756900      -0.18851000
Li       0.40030654       2.08459803       2.17860439       0.48867700       0.30812500
H        2.02936100      -1.29326285      -1.97679541      -0.51066800      -0.24577700
Li       2.03744187      -2.31811222      -0.16082395       0.64732200       0.26489200
H        2.35937653      -1.99346321       1.29554769      -0.61738600      -0.26957600
Li       1.49616641       0.07090422      -3.10427511       0.59483200       0.24723300
H        2.66807502       1.33087113       2.05895259      -0.29538000      -0.22589000
Li       2.04249177      -0.55400069       2.33944988       0.49647900       0.22020500
H        2.02226821       1.61235233      -2.66007330      -0.49797200      -0.27534000
Li       1.67076229       2.60048046      -0.97385456       0.50451100       0.36718400
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="2.16294 0.63705 1.78033" energy=-2866.8500371315304 pbc="F F F"
H       -1.79362029      -1.68137904      -2.95311101      -0.35557000      -0.28417600
Li      -2.15166301      -1.96360041       0.01689344       0.65411900       0.22206900
H       -2.35114697      -1.91833843       1.84866354      -0.44428000      -0.27468500
Li      -2.57240297       0.25653900      -1.93684347       0.32265900       0.19652200
H       -2.33036233      -0.12168847      -0.09233427      -0.54195000      -0.22137000
Li      -1.61268980       0.06480143       2.41891634       0.67196300       0.20907600
H       -2.93766005       2.15094841      -1.51659154      -0.30143000      -0.24029100
Li      -1.85998145       1.62475926       0.24098462       0.55687300       0.16822600
H       -1.45350015       1.70447153       2.39352670      -0.51018300      -0.26142200
Li      -0.22035743      -1.72996786      -2.22408970       0.31718000       0.15934500
H        0.12860566      -1.80622546       0.53764044      -0.56912200      -0.19183300
Li       0.25605024      -2.54727411       2.20967276       0.44432300       0.33950400
H       -0.12552929      -0.00030343      -1.83467522      -0.56393600      -0.20195200
Li       1.27867169       0.58084448       0.88258532       0.45371600       0.16797200
H        0.32935390      -0.23609733       2.41620888      -0.57989800      -0.19842400
Li      -0.61636889       1.82651599      -1.75876241       0.36343900       0.19671100
H        0.08586221       2.09396566      -0.14032970      -0.69876000      -0.18646700
Li       0.40545201       2.09569467       2.18932485       0.47877400       0.31034000
H        2.05072697      -1.33748197      -1.99026618      -0.50921500      -0.24570200
Li       2.05698651      -2.31563634      -0.16784858       0.66777900       0.24919300
H        2.36537919      -2.08231826       1.20319849      -0.62523800      -0.27444800
Li       1.49633801       0.06328872      -3.14517231       0.59445800       0.24781600
H        2.64919840       1.31134481       1.91309277      -0.30139500      -0.23154300
Li       2.07531911      -0.53684483       2.36582097       0.46708100       0.24548400
H        2.01189867       1.60956533      -2.70109381      -0.49235700      -0.27352200
Li       1.66374688       2.62641958      -0.95842712       0.50096900       0.37349400
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.05679 3.67269 -0.08698" energy=-2864.088215743662 pbc="F F F"
H       -2.17915395      -2.44230053      -2.18806566      -0.48824900      -0.26330800
Li      -2.38184580      -2.51183037      -0.11118419       0.48470500       0.26208100
H       -2.12629374      -2.66460720       2.53251820      -0.44827400      -0.28395800
Li      -2.47337460      -0.05579950      -2.33312691       0.55393600       0.31166600
H       -2.32904926       0.15847984       0.35881553      -0.55034000      -0.20007200
Li      -2.46977342      -0.02647010       2.56685736       0.52872800       0.25703500
H       -1.85847876       2.38076469      -2.35162878      -0.53609400      -0.28416100
Li      -2.45077384       2.61899590       0.08452973       0.51489100       0.29897200
H       -2.48780167       2.22709971       2.63572581      -0.45978300      -0.28356900
Li      -0.11921215      -2.44324259      -2.34865829       0.47098100       0.21801700
H        0.08127520      -2.22750286       0.06655454      -0.57063400      -0.19121400
Li      -0.03160448      -2.48510125       2.42181132       0.44450300       0.22957300
H        0.04339409      -0.17621402      -2.57561423      -0.51570600      -0.20282700
Li       0.00969633      -0.00269803      -0.16489505       0.69589600       0.13148700
H        0.73738052       0.17210512       2.80873374      -0.50505600      -0.24370600
Li      -0.13794964       2.63884559      -2.48254601       0.54168600       0.28068500
H        0.10660999       2.36495230       0.27471539      -0.56485700      -0.19571600
Li       0.03320479       2.52750785       2.44493020       0.39381400       0.29395200
H        2.61112007      -2.73517282      -2.15337676      -0.43514900      -0.29878700
Li       2.45015719      -2.57385514      -0.03469958       0.46009000       0.20636200
H        2.49168126      -1.99918720       2.47812779      -0.46324400      -0.28456900
Li       2.49869220       0.07130367      -2.46549216       0.55336300       0.24131800
H        3.19029202       0.27826953      -0.29781935      -0.42334800      -0.22648700
Li       2.39917378      -0.05765287       2.60552494       0.40236200       0.21082500
H        2.43766871       1.98009119      -1.79130672      -0.54102100      -0.28310300
Li       2.56923015       2.68972138      -0.15362181       0.45680100       0.29923800
26
Properties=species:S:1:pos:R:3:mulliken:R:1:hirshfeld:R:1 dipole_vector="-1.60861 3.503 -0.61134" energy=-2864.214577092505 pbc="F F F"
H       -2.12069654      -2.40314214      -2.10859294      -0.51216100      -0.26405600
Li      -2.36012249      -2.51333830      -0.13187056       0.49338300       0.26924400
H       -2.03841939      -2.65010218       2.50543140      -0.45785600      -0.28528200
Li      -2.46440874      -0.06921118      -2.30667071       0.55890400       0.32256500
H       -2.29578496       0.17698229       0.39481036      -0.55454300      -0.19994400
Li      -2.46581763      -0.03318352       2.56745648       0.53918800       0.26296400
H       -1.76559517       2.34546439      -2.29801379      -0.56462800      -0.28830000
Li      -2.44097347       2.62534210       0.09522999       0.51730800       0.30937100
H       -2.44426064       2.16275333       2.62320858      -0.46949900      -0.28299400
Li      -0.14060777      -2.43261959      -2.32350438       0.47416100       0.22116600
H        0.08808017      -2.17393505       0.07617969      -0.57891800      -0.19092500
Li      -0.04007531      -2.48267235       2.40076916       0.44352300       0.23396500
H        0.04441382      -0.20760460      -2.56304864      -0.51827700      -0.20370200
Li       0.00679326      -0.00836760      -0.19563950       0.75108000       0.13712900
H        0.83787776       0.25252357       2.84856119      -0.51233300      -0.25925100
Li      -0.16199205       2.64926206      -2.47925633       0.55323700       0.28769600
H        0.14189434       2.35844312       0.34579253      -0.56685500      -0.19986000
Li       0.02446665       2.51808171       2.42660377       0.40066600       0.28162600
H        2.58810003      -2.74632220      -2.06849627      -0.43688900      -0.30069000
Li       2.43532260      -2.58406645      -0.04627293       0.45805300       0.20701800
H        2.46028685      -1.90708890       2.44414572      -0.47919800      -0.28623100
Li       2.49116210       0.07846769      -2.45558530       0.55247800       0.24982700
H        3.26709795       0.33254806      -0.30602613      -0.42187500      -0.23431000
Li       2.37697350      -0.08321279       2.61249841       0.42203200       0.20020100
H        2.39091560       1.92430929      -1.69849073      -0.55693500      -0.28372300
Li       2.57167980       2.70373904      -0.19214780       0.46595200       0.29636900