srDFT_G2/Data_DFT/data_HF_vdz

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2019-03-27 12:32:10 +01:00
Be -14.57233763095975
2019-03-31 17:01:41 +02:00
Cl -459.4671805871486
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C -37.68241788147697
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F -99.37186194017748
H -0.4992784034195832
Li -7.432419879674312
Mg -199.6082970287379
Na -161.8530266435598
N -54.38841423703824
O -74.78751307466443
P -340.7090141166056
Si -288.8464369232282
S -397.4928397494306
BeH -15.14944105168636
C2H2 -76.82592334985850
C2H4 -78.04007549141934
C2H6 -79.23490630991868
CH -38.26868990365019
CH2_1A1 -38.88078815371200
CH2_3B1 -38.92143147431442
CH3 -39.55963426168379
CH3Cl -499.1177963325864
CH4 -40.19870886803566
CN -92.19643276876862
CO -112.7490226770811
CO2 -187.6505541073124
CS -435.3295163334384
Cl2 -918.9609463729460
ClF -558.8441089581622
ClO -534.2511260050380
F2 -198.6875949837574
H2CO -113.8764549841933
H2O -76.02652628003464
H2O2 -150.7842105444468
H2S -398.6945595492011
H3COH -115.0491170646377
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CH3SH -437.7255345912816
HCN -92.88339434576352
HCO -113.2535258863265
HCl -460.0894235831447
HF -100.0193125151421
HOCl -534.8727072271466
Li2 -14.86982098302954
LiF -106.9451229522251
LiH -7.983683496756070
N2 -108.9539745907070
N2H4 -111.1860522419988
NH -54.95942922664231
NH2 -55.56260364644868
NH3 -56.19550776567755
NO -129.2535768586835
Na2 -323.7040563975581
NaCl -621.4336177391896
O2 -149.6082988699372
OH -75.38981150133118
P2 -681.4656970633152
PH2 -341.8674853239523
PH3 -342.4703440857542
S2 -795.0493355261214
SO -472.3325188309178
SO2 -547.1786171115622
Si2 -577.7563198549419
Si2H6 -581.3390743613608
SiH2_1A1 -290.0186293380384
SiH2_3B1 -290.0098623342276
SiH3 -290.6236219752521
SiH4 -291.2428881740005
SiO -363.7898701633387