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ecp_vDZP_ORCA.txt
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ecp_vDZP_ORCA.txt
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982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
NewECP B
N_core 2
lmax f
s 1
1 4.50610000 23.99296000 2
p 1
1 5.60000000 -1.30000000 2
d 1
1 0.08000000 -0.00300000 2
f 1
1 1.00000000 0.00000000 2
end
NewECP C
N_core 2
lmax f
s 1
1 6.40105200 33.12163800 2
p 1
1 7.30774700 -1.98625700 2
d 1
1 5.96179600 -9.45431800 2
f 1
1 1.00000000 0.00000000 2
end
NewECP N
N_core 2
lmax f
s 1
1 7.97723200 38.53383100 2
p 1
1 10.18385400 -2.55081000 2
d 1
1 11.55994700 -2.99554500 2
f 1
1 1.00000000 0.00000000 2
end
NewECP O
N_core 2
lmax f
s 1
1 10.44567000 50.77106900 2
p 1
1 18.04517400 -4.90355100 2
d 1
1 8.16479800 -3.31212400 2
f 1
1 1.00000000 0.00000000 2
end
NewECP F
N_core 2
lmax f
s 2
1 22.35040000 102.59795200 2
2 11.17520000 19.04966300 2
p 2
1 26.47680000 -15.14396000 2
2 13.23840000 2.80292100 2
d 1
1 0.0316 1.0e-302 2
f 1
1 1.00000000 0.00000000 2
end
NewECP NE
N_core 2
lmax f
s 2
1 31.86016200 112.52543566 2
2 12.36221900 28.30083454 2
p 2
1 21.50803400 -11.12658543 2
2 12.91044700 3.38754919 2
d 1
1 0.85038500 -0.18408921 2
f 1
1 1.00000000 0.00000000 2
end
NewECP NA
N_core 2
lmax p
s 5
1 2.47830001 -14.53866100 2
2 3.09900001 31.91120791 2
3 3.94710001 -32.32224607 2
4 8.21659994 3.14094701 1
5 1.50080000 1.87765500 0
p 3
1 1.60680000 -0.00010200 2
2 22.52309990 -1.71544300 2
3 76.23649979 -1.36191100 1
end
NewECP MG
N_core 2
lmax p
s 5
1 2.95159999 -15.62671006 2
2 3.73249999 33.53119421 2
3 4.81180000 -36.07307196 2
4 9.91949999 3.12963399 1
5 1.81850000 1.93843301 0
p 3
1 1.13200000 -0.00005300 2
2 27.30570006 -1.93249400 2
3 93.30560017 -1.39384700 1
end
NewECP AL
N_core 10
lmax f
s 1
1 2.19822500 20.40981300 2
p 1
1 1.60139500 8.98049500 2
d 1
1 1.49902600 -1.97041100 2
f 1
1 1.00000000 0.00000000 2
end
NewECP SI
N_core 10
lmax f
s 1
1 2.71362197 26.62331865 2
p 1
1 1.96687987 10.92995391 2
d 1
1 2.71001600 -4.66941200 2
f 1
1 1.00000000 0.00000000 2
end
NewECP P
N_core 10
lmax f
s 1
1 2.94055986 26.53226131 2
p 1
1 2.22771255 11.49721021 2
d 1
1 5.66170600 -16.77278000 2
f 1
1 1.00000000 0.00000000 2
end
NewECP S
N_core 10
lmax f
s 1
1 3.74389164 37.97481900 2
p 1
1 3.08608744 18.79052931 2
d 1
1 4.86241400 -7.83796400 2
f 1
1 1.00000000 0.00000000 2
end
NewECP CL
N_core 10
lmax f
s 2
1 6.39430000 33.13663196 2
2 3.19710000 16.27072783 2
p 2
1 5.62070000 24.41699269 2
2 2.81030000 7.68304978 2
d 1
1 5.33810000 -8.58764865 2
f 1
1 1.00000000 0.00000000 2
end
NewECP AR
N_core 10
lmax g
s 2
1 10.26172100 68.66778801 2
2 3.95272500 24.04276629 2
p 2
1 5.39271400 27.73076331 2
2 2.69996700 4.04545904 2
d 2
1 8.08623500 -8.13747696 2
2 4.01663200 -1.66452808 2
f 1
1 5.20845900 -3.40009845 2
g 1
1 1.00000000 0.00000000 2
end
NewECP K
N_core 10
lmax d
s 5
1 2.41030002 33.92499542 2
2 2.77449989 -117.52191162 2
3 3.33690000 108.25654602 2
4 2.22169995 5.80375385 1
5 12.19449997 3.21023202 0
p 5
1 3.15459990 -69.97570801 2
2 4.03189993 178.15260315 2
3 5.16720009 -136.11946106 2
4 11.33360004 4.43228197 1
5 1.74329996 4.74835920 0
d 4
1 4.99889994 -1.96356797 2
2 14.58220005 -15.53031635 2
3 44.89559937 -38.57669830 2
4 141.48350525 -7.30101395 1
end
NewECP CA
N_core 10
lmax d
s 5
1 2.68330002 29.85718918 2
2 3.08299994 -117.43736267 2
3 3.70659995 102.65641785 2
4 2.47650003 10.56573391 1
5 13.28890038 3.14651394 0
p 5
1 3.47429991 -77.17020416 2
2 4.38199997 180.64172363 2
3 5.66209984 -125.80883789 2
4 2.20009995 5.88094378 1
5 6.12169981 4.76948595 0
d 4
1 5.92140007 -2.26729298 2
2 17.20369911 -17.17546654 2
3 53.37039948 -42.60916519 2
4 169.98489380 -7.46766806 1
end
NewECP SC
N_core 10
lmax f
s 2
1 11.50000000 138.53815200 2
2 5.18400000 14.83404210 2
p 2
1 10.93000000 82.45861400 2
2 4.58100000 8.56520569 2
d 2
1 13.47000000 -16.12986210 2
2 4.37500000 -0.53469012 2
f 1
1 1.00000000 0.00000000 2
end
NewECP TI
N_core 10
lmax f
s 2
1 13.01000000 158.24159300 2
2 5.86200000 17.51182390 2
p 2
1 12.46000000 95.23512680 2
2 5.21700000 10.04785600 2
d 2
1 15.35000000 -17.56886120 2
2 4.98000000 -0.58725612 2
f 1
1 1.00000000 0.00000000 2
end
NewECP V
N_core 10
lmax f
s 2
1 14.49000000 178.44797100 2
2 6.52400000 19.83137520 2
p 2
1 14.30000000 109.52976300 2
2 6.02100000 12.57030950 2
d 2
1 17.48000000 -19.21965700 2
2 5.70900000 -0.64277474 2
f 1
1 1.00000000 0.00000000 2
end
NewECP CR
N_core 10
lmax f
s 2
1 16.39000000 201.57888700 2
2 7.40200000 24.20574090 2
p 2
1 16.45000000 125.02277400 2
2 6.96200000 16.47906550 2
d 2
1 19.93000000 -20.82742110 2
2 6.59800000 -0.83436781 2
f 1
1 1.00000000 0.00000000 2
end
NewECP MN
N_core 10
lmax f
s 2
1 18.52000000 226.43090200 2
2 8.37300000 30.35907230 2
p 2
1 18.92000000 142.15470500 2
2 8.01700000 21.53650930 2
d 2
1 22.72000000 -22.56811870 2
2 7.64000000 -1.20581020 2
f 1
1 1.00000000 0.00000000 2
end
NewECP FE
N_core 10
lmax f
s 2
1 20.93000000 253.74958800 2
2 9.44500000 37.92284500 2
p 2
1 21.76000000 161.03681200 2
2 9.17800000 27.65129800 2
d 2
1 25.90000000 -24.43127600 2
2 8.83500000 -1.43425100 2
f 1
1 1.00000000 0.00000000 2
end
NewECP CO
N_core 10
lmax f
s 2
1 23.66000000 283.96056600 2
2 10.61000000 47.15684590 2
p 2
1 25.04000000 182.21223600 2
2 10.44000000 35.23335150 2
d 2
1 29.54000000 -26.47533270 2
2 10.18000000 -1.82578723 2
f 1
1 1.00000000 0.00000000 2
end
NewECP NI
N_core 10
lmax f
s 2
1 26.74000000 317.68227200 2
2 11.86000000 58.25539100 2
p 2
1 28.80000000 252.47436600 2
2 11.79000000 36.08150310 2
d 2
1 33.70000000 -18.52295510 2
2 11.66000000 -4.55766810 2
f 1
1 1.00000000 0.00000000 2
end
NewECP CU
N_core 10
lmax g
s 2
1 30.11054300 355.75051200 2
2 13.07631000 70.93090600 2
p 4
1 32.69261400 77.96993100 2
2 32.77033900 155.92744800 2
3 13.75106700 18.02113200 2
4 13.32216600 36.09437200 2
d 4
1 38.99651100 -12.34341000 2
2 39.53978800 -18.27336200 2
3 12.28751100 -0.98470500 2
4 11.45930000 -1.31874700 2
f 2
1 6.19010200 -0.22726400 2
2 8.11878000 -0.46877300 2
g 1
1 1.00000000 0.00000000 2
end
NewECP ZN
N_core 10
lmax g
s 2
1 34.17400100 399.98639900 2
2 14.45637100 85.48975000 2
p 4
1 39.88868300 92.38107700 2
2 39.65501700 184.77117600 2
3 15.29054600 23.00254100 2
4 14.90352400 46.05742700 2
d 4
1 43.70829600 -13.69073400 2
2 43.69853600 -20.54398000 2
3 15.15071800 -1.31615400 2
4 15.28244100 -1.83871500 2
f 2
1 8.16001400 -0.37036000 2
2 12.22842200 -1.06294300 2
g 1
1 1.00000000 0.00000000 2
end
NewECP GA
N_core 28
lmax g
s 1
1 5.21596000 203.85397200 2
p 1
1 4.30890400 156.10339000 2
d 1
1 0.49635700 1.03164700 2
f 1
1 1.71517000 -10.67373500 2
g 1
1 1.00000000 0.00000000 2
end
NewECP GE
N_core 28
lmax g
s 1
1 4.81540900 149.24657900 2
p 1
1 4.16951500 132.84433500 2
d 1
1 0.59195800 1.34615400 2
f 1
1 1.79177000 -7.04422300 2
g 1
1 1.00000000 0.00000000 2
end
NewECP AS
N_core 28
lmax g
s 1
1 3.61262500 53.96562000 2
p 1
1 3.90792600 88.94908800 2
d 1
1 1.92646700 22.42028800 2
f 1
1 1.77343400 -4.70481500 2
g 1
1 1.00000000 0.00000000 2
end
NewECP SE
N_core 28
lmax g
s 1
1 4.23705700 79.66334500 2
p 1
1 2.91033400 31.56099300 2
d 1
1 2.33570100 30.80461000 2
f 1
1 2.25463900 -6.54687500 2
g 1
1 1.00000000 0.00000000 2
end
NewECP BR
N_core 28
lmax g
s 2
1 5.02180000 61.51372100 2
2 2.51090000 9.02149300 2
p 2
1 4.28140000 53.87586400 2
2 2.14070000 4.62940200 2
d 2
1 2.88000000 20.84967700 2
2 1.44000000 2.96544400 2
f 1
1 2.72070000 -8.16149300 2
g 1
1 1.00000000 0.00000000 2
end
NewECP KR
N_core 28
lmax h
s 2
1 5.87771800 73.91569390 2
2 3.08462200 16.16825080 2
p 2
1 5.16411000 58.51769101 2
2 2.35830200 8.25910073 2
d 2
1 3.21536200 33.45822776 2
2 1.28500800 0.67725331 2
f 2
1 4.08286900 -15.15869859 2
2 1.19396000 -0.17408825 2
g 1
1 3.18077500 -6.83315877 2
h 1
1 1.00000000 0.00000000 2
end
NewECP RB
N_core 28
lmax f
s 7
1 2.29809999 50.81394196 2
2 2.66269994 -162.04731750 2
3 3.50929999 313.81082153 2
4 4.96980000 -309.75451660 2
5 6.94840002 216.07606506 2
6 17.70389938 20.86063194 1
7 25.66029930 3.36120105 0
p 7
1 2.02160001 45.41232300 2
2 2.33979988 -145.47238159 2
3 3.07839990 283.18420410 2
4 4.37570000 -305.10214233 2
5 6.15859985 207.65396118 2
6 16.77890015 12.15985012 1
7 16.61680031 5.39989424 0
d 7
1 1.23380005 31.68275070 2
2 1.41939998 -100.62529755 2
3 1.83389997 186.52160645 2
4 2.54550004 -239.76072693 2
5 3.47009993 170.19052124 2
6 10.62069988 9.91743755 1
7 9.28610039 7.41062880 0
f 5
1 1.96459997 -1.04400003 2
2 5.02349997 -12.26854706 2
3 12.31190014 -40.49360657 2
4 39.43920136 -92.10794830 2
5 116.43070221 -20.25083160 1
end
NewECP SR
N_core 28
lmax f
s 7
1 2.44670010 53.58986664 2
2 2.86780000 -172.08218384 2
3 3.86610007 345.58593750 2
4 5.66069984 -351.22171021 2
5 8.30790043 257.34286499 2
6 23.49519920 12.91709232 1
7 21.03380013 6.33449411 0
p 7
1 2.20950007 49.15122604 2
2 2.58439994 -158.82582092 2
3 3.46840000 320.08462524 2
4 5.06430006 -349.10769653 2
5 7.37960005 239.32991028 2
6 22.22710037 11.86419868 1
7 19.91810036 5.33859777 0
d 7
1 1.40730000 32.67572403 2
2 1.62419999 -103.22133636 2
3 2.11750007 193.27650452 2
4 2.97239995 -248.63302612 2
5 4.11800003 183.39566040 2
6 12.52390003 10.14631939 1
7 10.88269997 7.38135815 0
f 5
1 2.23399997 -1.16187501 2
2 5.67100000 -13.37399960 2
3 13.88179970 -43.23659134 2
4 44.81060028 -100.09903717 2
5 132.90260315 -20.51813126 1
end
NewECP Y
N_core 28
lmax g
s 2
1 7.48804900 135.15384400 2
2 3.74402500 15.55244100 2
p 2
1 6.44537700 87.78499200 2
2 3.22268900 11.56406600 2
d 2
1 4.65844700 29.70100100 2
2 2.32922400 5.53996800 2
f 2
1 6.58421200 -19.12219800 2
2 3.29210600 -2.43637500 2
g 1
1 1.00000000 0.00000000 2
end
NewECP ZR
N_core 28
lmax g
s 2
1 8.20000000 150.26759100 2
2 4.08972800 18.97621600 2
p 2
1 7.11000000 99.62212400 2
2 3.59679800 14.16873300 2
d 2
1 5.35000000 35.04512400 2
2 2.49182100 6.11125900 2
f 2
1 7.54000000 -21.09377600 2
2 3.77000000 -3.08069400 2
g 1
1 1.00000000 0.00000000 2
end
NewECP NB
N_core 28
lmax g
s 2
1 8.90000000 165.17914300 2
2 4.43000000 21.99297400 2
p 2
1 7.77000000 111.79441400 2
2 3.96000000 16.63348300 2
d 2
1 6.05000000 38.11224900 2
2 2.84000000 8.03916700 2
f 2
1 8.49000000 -22.92955000 2
2 4.25000000 -3.66631000 2
g 1
1 1.00000000 0.00000000 2
end
NewECP MO
N_core 28
lmax g
s 2
1 9.71459400 180.10310800 2
2 4.68050000 24.99722800 2
p 2
1 8.14213700 123.77275200 2
2 4.62598600 19.53022800 2
d 2
1 6.61841500 48.37502200 2
2 3.24875200 8.89205300 2
f 2
1 9.45000000 -24.80517700 2
2 4.72000000 -4.15378200 2
g 1
1 1.00000000 0.00000000 2
end
NewECP TC
N_core 28
lmax g
s 2
1 10.42234600 195.15916600 2
2 5.03651600 28.09260300 2
p 2
1 8.95044900 135.28456600 2
2 4.85443900 21.80650400 2
d 2
1 6.94569700 54.32972900 2
2 3.97058500 11.15506800 2
f 2
1 10.40000000 -26.56244700 2
2 5.20000000 -4.58568100 2
g 1
1 1.00000000 0.00000000 2
end
NewECP RU
N_core 28
lmax g
s 2
1 11.10526900 209.82297100 2
2 5.41474500 30.65472600 2
p 2
1 9.77127100 146.33618200 2
2 5.07399100 24.12787700 2
d 2
1 7.67142300 67.51589700 2
2 4.13656500 9.87010400 2
f 2
1 11.36000000 -28.34061600 2
2 5.68000000 -4.94462900 2
g 1
1 1.00000000 0.00000000 2
end
NewECP RH
N_core 28
lmax g
s 2
1 11.72000000 225.34775400 2
2 5.82000000 32.82318900 2
p 2
1 10.42000000 158.70941200 2
2 5.45000000 26.44410000 2
d 2
1 8.82000000 62.75862600 2
2 3.87000000 10.97871900 2
f 2
1 12.31000000 -30.09345600 2
2 6.16000000 -5.21848200 2
g 1
1 1.00000000 0.00000000 2
end
NewECP PD
N_core 28
lmax g
s 2
1 12.43000000 240.22904000 2
2 6.17075900 35.17194300 2
p 2
1 11.08000000 170.41727600 2
2 5.82955400 28.47213300 2
d 2
1 9.51000000 69.01384500 2
2 4.13978100 11.75086200 2
f 2
1 13.27000000 -31.92955400 2
2 6.63000000 -5.39821700 2
g 1
1 1.00000000 0.00000000 2
end
NewECP AG
N_core 28
lmax g
s 2
1 13.13000000 255.13936500 2
2 6.51000000 36.86612200 2
p 2
1 11.74000000 182.18186900 2
2 6.20000000 30.35775100 2
d 2
1 10.21000000 73.71926100 2
2 4.38000000 12.50211700 2
f 2
1 14.22000000 -33.68992000 2
2 7.11000000 -5.53112000 2
g 1
1 1.00000000 0.00000000 2
end
NewECP CD
N_core 28
lmax g
s 2
1 13.83586900 270.00948300 2
2 6.85727000 38.76730800 2
p 2
1 12.40497100 193.82962900 2
2 6.56779900 31.89652500 2
d 2
1 10.89692500 79.19364700 2
2 4.64116500 13.23082700 2
f 2
1 15.18479600 -35.47662600 2
2 7.59239800 -5.61767700 2
g 1
1 1.00000000 0.00000000 2
end
NewECP IN
N_core 46
lmax g
s 2
1 1.43509100 29.16521900 2
2 0.69580500 -4.19080600 2
p 2
1 1.44083200 36.99054200 2
2 0.70139200 -3.36582000 2
d 1
1 0.96123600 20.00053100 2
f 1
1 0.88436900 -6.01909200 2
g 1
1 1.00000000 0.00000000 2
end
NewECP SN
N_core 46
lmax g
s 2
1 1.96972500 67.92534700 2
2 0.97237500 -7.47854600 2
p 2
1 1.99921000 56.60288000 2
2 0.99904200 -2.16177600 2
d 1
1 0.50036100 2.57633600 2
f 1
1 1.23088000 -10.10925300 2
g 1
1 1.00000000 0.00000000 2
end
NewECP SB
N_core 46
lmax g
s 2
1 2.49109100 68.42793800 2
2 1.34157500 -4.39863100 2
p 2
1 2.14386400 63.96546900 2
2 0.58550300 -0.57872600 2
d 1
1 0.79540100 7.80366100 2
f 1
1 1.60925100 -14.51768700 2
g 1
1 1.00000000 0.00000000 2
end
NewECP TE
N_core 46
lmax g
s 2
1 2.92379400 50.08380500 2
2 1.15275400 1.96814000 2
p 2
1 2.60308600 119.82070200 2
2 0.98544800 -2.03904800 2
d 1
1 1.43501900 37.75721400 2
f 1
1 1.93927000 -17.86464100 2
g 1
1 1.00000000 0.00000000 2
end
NewECP I
N_core 46
lmax g
s 2
1 3.51120000 83.11386300 2
2 1.75560000 5.20187600 2
p 2
1 2.96880000 82.81110900 2
2 1.48440000 3.37968200 2
d 2
1 1.90660000 10.30427700 2
2 0.95330000 7.58803200 2
f 1
1 2.30750000 -21.47793600 2
g 1
1 1.00000000 0.00000000 2
end
NewECP XE
N_core 46
lmax h
s 2
1 3.94026300 122.76382934 2
2 2.27726400 8.30885115 2
p 2
1 3.02837300 68.82300437 2
2 1.39431900 3.64674223 2
d 2
1 2.12260500 23.65207854 2
2 0.79866900 3.25844113 2
f 2
1 6.16436000 -47.70319876 2
2 1.54237400 -6.54113991 2
g 1
1 1.84789200 -7.10585060 2
h 1
1 1.00000000 0.00000000 2
end
NewECP CS
N_core 46
lmax f
s 7
1 1.38530004 42.85466766 2
2 1.63240004 -138.00901794 2
3 2.20580006 275.99960327 2
4 3.22149992 -280.45663452 2
5 4.64960003 199.82038879 2
6 15.15250015 27.73096657 1
7 19.00049973 3.76870608 0
p 7
1 1.25950003 48.66250992 2
2 1.44169998 -145.70526123 2
3 1.87639999 264.46368408 2
4 2.65750003 -279.85159302 2
5 3.63870001 184.35585022 2
6 10.65320015 23.30001831 1
7 14.68060017 5.76792908 0
d 7
1 0.76810002 34.86072540 2
2 0.87459999 -106.79302979 2
3 1.10769999 188.23532104 2
4 1.48230004 -217.63992310 2
5 1.92019999 137.74559021 2
6 6.21829987 34.42418671 1
7 17.38809967 7.19875193 0
f 5
1 0.93849999 -0.78916699 2
2 2.31629992 -8.42115784 2
3 6.00729990 -30.98544312 2
4 20.37969971 -95.03477478 2
5 59.32889938 -30.07960320 1
end
NewECP BA
N_core 46
lmax f
s 7
1 1.51549995 52.18550110 2
2 1.80079997 -166.64633179 2
3 2.46210003 336.98910522 2
4 3.64910007 -346.60510254 2
5 5.34859991 229.66429138 2
6 17.15789986 20.49417496 1
7 16.02389908 6.64949989 0
p 7
1 1.35119998 61.51347351 2
2 1.55149996 -171.17402649 2
3 2.06870008 303.61636353 2
4 3.00740004 -324.12673950 2
5 4.23050022 210.71342468 2
6 14.21850014 19.11876488 1
7 13.10439968 5.84502220 0
d 7
1 0.89740002 34.92659378 2
2 1.02090001 -109.23178864 2
3 1.28859997 196.23254395 2
4 1.73850000 -224.63766479 2
5 2.28509998 146.97143555 2
6 7.33769989 37.01747894 1
7 20.39410019 7.09744883 0
f 5
1 0.97610003 -0.88013703 2
2 2.66910005 -10.01861763 2
3 7.10550022 -35.70346451 2
4 24.84989929 -114.57715607 2
5 75.09850311 -30.99500656 1
end
NewECP LA
N_core 46
lmax g
s 2
1 3.30990000 91.93217700 2
2 1.65500000 -3.78876400 2
p 2
1 2.83680000 63.75948600 2
2 1.41840000 -0.64795800 2
d 2
1 2.02130000 36.11617300 2
2 1.01070000 0.21911400 2
f 1
1 4.02860000 -36.01001600 2
g 1
1 1.00000000 0.00000000 2
end
NewECP CE
N_core 46
lmax f
s 3
1 1.89370130 -255.56238300 2
2 1.97914860 307.31392800 2
3 10.74296970 10.66990170 0
p 3
1 7.75592980 12.22921090 0
2 1.81564130 124.94246600 2
3 1.67164720 -84.59998680 2
d 2
1 1.70642050 24.94467550 2
2 6.48933740 10.28614400 0
f 2
1 9.20747930 -15.34875610 1
2 1.86730120 -5.84323950 1
end
NewECP PR
N_core 46
lmax f
s 3
1 2.12955580 -223.64398200 2
2 2.22746550 278.13451500 2
3 7.28371960 12.62107180 0
p 3
1 7.80928040 12.52563900 0
2 1.92977860 121.95278200 2
3 1.76478920 -79.40475120 2
d 2
1 1.79797430 26.19266520 2
2 6.54805150 9.87391210 0
f 2
1 9.82972860 -15.44352190 1
2 1.98070080 -5.89611280 1
end
NewECP ND
N_core 46
lmax f
s 3
1 2.22478560 -219.47084000 2
2 2.34459590 280.52892800 2
3 11.85798300 11.76232500 0
p 3
1 9.44306450 11.43612170 0
2 1.98949080 120.33535600 2
3 1.79805450 -75.78196430 2
d 2
1 1.88855050 27.38307130 2
2 6.64366550 9.61741050 0
f 2
1 10.42978840 -15.48300440 1
2 2.09229130 -5.94833370 1
end
NewECP PM
N_core 46
lmax f
s 3
1 2.27365310 -215.58178700 2
2 2.40502950 277.53404200 2
3 10.76473100 11.55980120 0
p 3
1 9.85397700 10.33666460 0
2 2.07626890 121.46769300 2
3 1.86493490 -74.87664400 2
d 2
1 1.97798220 28.48611040 2
2 6.67329420 9.28090580 0
f 2
1 11.10670840 -15.58675570 1
2 2.21044790 -6.01203460 1
end
NewECP SM
N_core 46
lmax f
s 3
1 2.37776610 -206.06726600 2
2 2.52471590 270.34259800 2
3 10.26438980 11.44490440 0
p 3
1 10.00542360 10.69510070 0
2 2.20124120 121.87722800 2
3 1.96809280 -72.78839030 2
d 2