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added data_HF_5z+ec_v5z

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This commit is contained in:
Emmanuel Giner 2019-04-16 10:09:32 +02:00
parent 38aaf09d9d
commit 14a1e6dd75
1 changed files with 68 additions and 0 deletions
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Big_data/Large_core/v5z/data_HF_5z+ec_v5z Normal file
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@ -0,0 +1,68 @@
Be -14.619076394
BeH -15.19865211
C -37.788139553
C2H2 -77.215687228
C2H4 -78.468441934
C2H6 -79.705755121
CH -38.421203545
CH2_1A1 -39.074863007
CH2_3B1 -39.089996283
CH3 -39.775742563
CH3Cl -499.61476162
CH4 -40.454500878
CN -92.599097277
CO -113.19818728
CO2 -188.40308802
CS -435.72924644
Cl -459.69987351
Cl2 -919.49226732
ClF -559.45802101
ClO -534.79983994
F -99.66056543
F2 -199.38067475
H -0.499994535159
H2CO -114.38012741
H2O -76.369004983
H2O2 -151.42495641
H2S -398.96215392
H3COH -115.60107851
H3CSH -438.21142959
HCN -93.309295885
HCO -113.72870511
HCl -460.37011095
HF -100.38516639
HOCl -535.46148098
Li -7.43272230705
Li2 -14.903799758
LiF -107.3121355
LiH -8.0243610596
Mg -199.64859005
N -54.527791813
N2 -109.41419115
N2H4 -111.74783323
NH -55.158830899
NH2 -55.816200805
NH3 -56.499355856
NO -129.76693035
Na -161.858638846
Na2 -323.74342476
NaCl -621.71541387
O -74.999993617
O2 -150.18868819
OH -75.669540217
P -340.82999252
P2 -681.84107137
PH2 -342.07402057
PH3 -342.71316297
S -397.67123347
S2 -795.50405018
SO -472.86821801
SO2 -548.07700413
Si -288.93887653
Si2 -577.99696723
Si2H6 -581.72839189
SiH2_1A1 -290.18294101
SiH2_3B1 -290.15048271
SiH3 -290.80125346
SiH4 -291.45487809
SiO -364.24145312