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GTH-PARAMETER_B97M-rV
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GTH-PARAMETER_B97M-rV
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############################
# B97M-rV Functional #
############################
H GTH-B97M-V-q1 GTH-B97M-V
1 0 0 0
0.20035129351682 2 -4.19817683636548 0.72396629836315
0
He GTH-B97M-V-q2 GTH-B97M-V
2 0 0 0
0.20058697438854 2 -9.12375520779439 1.69854503817234
0
Li GTH-B97M-V-q3 GTH-B97M-V
3 0 0 0
0.40063952749525 4 -14.09117909254636 9.62528354573194 -1.79925840921441 0.08741432680466
0
Be GTH-B97M-V-q4 GTH-B97M-V
4 0 0 0
0.32601481278127 4 -24.07133317082312 17.27332162167185 -3.34907616448271 0.16819524570128
0
B GTH-B97M-V-q3 GTH-B97M-V
2 1 0 0
0.39267911524279 2 -5.87126184997759 0.76623522116861
1
0.37127684089026 1 6.33144782472966
C GTH-B97M-V-q4 GTH-B97M-V
2 2 0 0
0.32887024771083 2 -8.84984387624840 1.24979656976157
1
0.30335830379827 1 9.62505263616965
N GTH-B97M-V-q5 GTH-B97M-V
2 3 0 0
0.28224661942009 2 -12.41364495485840 1.80099530973654
1
0.25611677193724 1 13.62608703548482
O GTH-B97M-V-q6 GTH-B97M-V
2 4 0 0
0.24213025507241 2 -16.67127436027386 2.40387488100375
1
0.22186005151420 1 18.25461135603100
F GTH-B97M-V-q7 GTH-B97M-V
2 5 0 0
0.20992194293104 2 -21.98551591363708 3.16988578505470
1
0.19513767165331 1 23.75825237693501
Ne GTH-B97M-V-q8 GTH-B97M-V
2 6 0 0
0.19000946841017 2 -27.05953313129320 4.36170455205067
2
0.17608546953156 2 28.17903928703574 0.83365652907800
-1.03051012329013
0.19576545127561 1 -0.28625546256332
Na GTH-B97M-V-q9 GTH-B97M-V
3 6 0 0
0.22679703831247 2 0.09224088657439 0.00449804245923
2
0.13738241423380 1 34.12906843802595
0.13657259030843 1 -13.93254701796489
Mg GTH-B97M-V-q10 GTH-B97M-V
4 6 0 0
0.18203040376921 2 -20.55037621570123 3.03540503646819
2
0.14164331707227 1 41.03715375845425
0.10273780889443 1 -9.99262010789251
Al GTH-B97M-V-q3 GTH-B97M-V
2 1 0 0
0.44782007584582 1 -7.51235667440952
2
0.48649305886309 2 6.96208916716842 -1.88883636828954
2.45084945277224
0.56200998443917 1 1.87891389130677
Si GTH-B97M-V-q4 GTH-B97M-V
2 2 0 0
0.46441455045912 1 -5.43066708811920
2
0.43779636528216 2 8.95418642391228 -2.70627072669107
3.48273900819864
0.49796933865762 1 2.43309487736390
P GTH-B97M-V-q5 GTH-B97M-V
2 3 0 0
0.45847105015585 1 -4.95599175907572
2
0.39748051404024 2 11.01104395437619 -3.47035702594019
4.48032291905691
0.44828036846178 1 3.05599281676639
S GTH-B97M-V-q6 GTH-B97M-V
2 4 0 0
0.42413473670579 1 -5.96666604494907
2
0.36490803948095 2 13.13044539436557 -4.24183078072301
5.47261039649881
0.40838631362873 1 3.68937460541636
Cl GTH-B97M-V-q7 GTH-B97M-V
2 5 0 0
0.41374482284051 1 -6.58835775254111
2
0.33953788503866 2 15.01778107218627 -4.93452262747946
6.46013802659205
0.37860145093417 1 4.33986012811933
Ar GTH-B97M-V-q8 GTH-B97M-V
2 6 0 0
0.40101416302706 1 -7.10342085115300
2
0.31889293035549 2 17.24466458357794 -5.58548797627727
7.20591648486320
0.35290652741179 1 4.97401507023558
Sc GTH-B97M-V-q11 GTH-B97M-V
4 6 1 0
0.38489877124920 2 8.13661936875379 -0.53602326470401
3
0.35010176471696 2 2.50453396855691 3.02108315511647
-3.57898903617769
0.24685670914897 2 -2.64122248834041 7.99214085702998
-9.47356841802521
0.25533473615216 1 -8.16991760791762
Ti GTH-B97M-V-q12 GTH-B97M-V
4 6 2 0
0.38279635787297 2 8.69826099101683 -0.69439544702336
3
0.32558810157240 2 2.48972488469812 3.69296699058966
-4.50075199594811
0.25440935870892 2 -4.60957242200972 8.87087879822012
-10.49272822456372
0.24466329760152 1 -9.48913201579207
V GTH-B97M-V-q13 GTH-B97M-V
4 6 3 0
0.37624450202339 2 7.48109577976181 -0.35667062356864
3
0.31581823180340 2 1.84498443619719 4.72569148304873
-5.76526824894276
0.25319745481517 2 -5.95017425387686 9.35863809189185
-11.05744369510422
0.24318673292688 1 -9.50101824649256
Cr GTH-B97M-V-q14 GTH-B97M-V
3 6 5 0
0.37021936413385 2 5.50722983313543 -0.55425960930145
3
0.30607539774123 2 2.60436651935965 4.97444944998303
-6.00271604998296
0.25267113806259 2 -4.46183906007159 7.33141591742448
-8.65146490692732
0.22106474560448 1 -11.18945802741320
Mn GTH-B97M-V-q15 GTH-B97M-V
4 6 5 0
0.36547543837793 2 6.13221647827387 -0.36483827718241
3
0.28789509118952 2 1.70140229967463 6.35683633977672
-7.83036901608001
0.25794405020291 2 -6.44309741871471 7.98335935239858
-9.42191116692823
0.22334295533395 1 -11.61642040970783
Fe GTH-B97M-V-q16 GTH-B97M-V
4 6 6 0
0.36019496920533 2 6.77153069590416 -0.19113347388267
3
0.27242661701072 2 0.56733789499202 7.91313437178729
-10.01399898650691
0.25395786246084 2 -7.89099012488505 7.69707793870164
-9.14366602859446
0.22389930674897 1 -12.40807001419699
Co GTH-B97M-V-q17 GTH-B97M-V
4 6 7 0
0.35439440087561 2 4.81793573355292 0.49005122155574
3
0.26838663148371 2 -0.61493660750445 9.28629324081695
-11.65689256040406
0.27231021482734 2 -6.83876370549141 5.68013254511046
-6.72081900005319
0.22371074863883 1 -12.35053189875489
Ni GTH-B97M-V-q18 GTH-B97M-V
4 6 8 0
0.34867478730275 2 2.12334080546525 0.65061715085813
3
0.25589976207068 2 0.49869426998633 9.97022868757714
-12.53889385487202
0.22519633864797 2 -11.10151240424940 12.42956645415389
-14.78433884813668
0.21570250322563 1 -12.67005828235701
Cu GTH-B97M-V-q19 GTH-B97M-V
3 6 10 0
0.34554316649012 2 0.08140196454023 1.25197621350233
3
0.25040700001586 2 0.73567496547016 10.73582111874088
-13.86350266926799
0.22116939418336 2 -13.05629842381059 14.74763804939361
-17.44666237946111
0.21613977378781 1 -12.45760215641922
Zn GTH-B97M-V-q20 GTH-B97M-V
4 6 10 0
0.34334660344401 2 0.57850505603025 1.25323445176170
3
0.24002350513623 2 -1.52167502108472 12.79313429113449
-16.31092080751933
0.24964292372104 2 -9.71642698572225 8.07114297336949
-9.56309809618103
0.21000058633646 1 -14.21189246725651
Pt GTH-B97M-V-q18 GTH-B97M-V
3 6 9 0
0.50164997767811 2 8.81893388536300 -0.29217350401213
3
0.29730977765263 3 -6.05399241891460 24.21289965962729 -13.78967931993945
-53.68763412998970 35.60479889954518
-28.20296085866813
0.36495155155698 3 -6.63553857695150 7.17065922979543 0.76690371795177
-7.18284913058957 -1.81482537127922
1.28773196062065
0.34091133660249 2 -8.58976337495742 9.41012200553655
-10.70006899439604
Ag GTH-B97M-V-q19 GTH-B97M-V
3 6 10 0
0.40125567972691 2 24.43835167789553 -4.21266459037865
3
0.31797429630968 2 0.56177821492079 4.28491022870379
-5.46077665557591
0.41671905184202 2 -0.18978317395541 -0.61441834282464
0.72693770053274
0.45654003361160 2 1.75127614743536 -3.09368804952714
3.50790909433950
Au GTH-B97M-V-q19 GTH-B97M-V
3 6 10 0
0.49103819326235 1 8.41214261323310
3
0.28966869784776 3 -6.07031375561295 26.10502145586306 -15.17621947177222
-58.38618002385815 39.18483021036810
-31.04374595005029
0.36588008720677 3 -5.86585882077878 4.73144607886320 2.92710529686491
-0.70326862997815 -6.92679529162485
4.92291022002743
0.34070645105634 2 -8.80456118702705 9.49191532699420
-10.79282032005443