srDFT_G2/G09/Large_core/data_HF_v5z_g09
2019-04-10 10:33:01 +02:00

69 lines
1.3 KiB
Plaintext

Be -14.5730109355
BeH -15.1532047629
C -37.6886421809
C2H2 -76.8558862937
C2H4 -78.0704079968
C2H6 -79.2661092771
CH -38.2795094129
CH2_1A1 -38.8952035757
CH2_3B1 -38.9351031538
CH3 -39.5763164632
CH3Cl -499.156128492
CH4 -40.2167569582
CN -92.2253960336
CO -112.790248110
CO2 -187.724239930
CS -435.361318489
Cl -459.483778919
Cl2 -919.009327113
ClF -558.918332893
ClO -534.310722594
F -99.4111704814
F2 -198.775640052
H -0.499994535159
H2CO -113.923009495
H2O -76.0666368448
H2O2 -150.851719571
H2S -398.719437717
H3COH -115.100978596
H3CSH -437.765945269
HCN -92.9158703098
HCO -113.297657912
HCl -460.112261421
HF -100.070304539
HOCl -534.932859600
Li -7.43272230705
Li2 -14.8717973884
LiF -106.993025028
LiH -7.98732747344
Mg -199.614604991
N -54.4008511898
N2 -108.992535220
N2H4 -111.235408779
NH -54.9779928932
NH2 -55.5864556139
NH3 -56.2241278190
NO -129.300708165
Na -161.858638846
Na2 -323.715960048
NaCl -621.459585494
O -74.8122304070
O2 -149.667174197
OH -75.4223972774
P -340.718675375
P2 -681.499261382
PH2 -341.886857619
PH3 -342.493938363
S -397.507107256
S2 -795.091886582
SO -472.401622783
SO2 -547.321555654
Si -288.854436365
Si2 -577.779942455
Si2H6 -581.383995407
SiH2_1A1 -290.034915857
SiH2_3B1 -290.026581790
SiH3 -290.644935963
SiH4 -291.267988280
SiO -363.854107205