srDFT_G2/Data/Bk3-cc-pVDZ/G2_Bk3-cc-pVDZ.dat
Pierre-Francois Loos 813602bcf6 Initial commit
2018-12-04 15:15:01 +01:00

67 lines
1.5 KiB
Plaintext

BeH -15.18923279566457
Be -14.61740988411657
C2H2 -77.11400208112616
C2H4 -78.35548510461224
C2H6 -79.57658168450641
CH2_1A1 -39.02313125242659
CH2_3B1 -39.04224692844358
CH3Cl -499.4399839648418
CH3 -39.71722264897977
CH4 -40.38940613072159
CH -38.38030574639952
CN -92.49922429602357
CO2 -188.1508381510676
CO -113.059699021492
CS -435.6114085649396
C -37.76050126138783
Cl2 -919.2637900965625
ClF -559.196140342431
ClO -534.5762029637796
Cl -459.5993035835773
F2 -199.101201852278
F -99.52775330306767
H2CO -114.224985610827
H2O2 -151.1997876247295
H2O -76.24261337850191
H2S -398.8662392904503
H3COH -115.4213772634501
H3CSH -438.0545656465082
HCN -93.19507725879285
HCO -113.581280273376
HCl -460.2557836916462
HF -100.2291248929211
HOCl -535.2327622906262
H -0.4992784
Li2 -14.90139320874868
LiF -107.1555194451271
LiH -8.014723932016963
Li -7.432637527137966
N2H4 -111.5699847681141
N2 -109.2814331647685
NH2 -55.73401327917406
NH3 -56.40607658175738
NH -55.091707865748
NO -129.6042777351946
N -54.47836431684317
Na2 -323.7338013910709
NaCl -621.5900467500954
Na -161.8542094300964
O2 -149.9914743204407
OH -75.55989031848021
O -74.90997488269136
P2 -681.7303214114976
PH2 -342.0100022735962
PH3 -342.639461096833
P -340.7916525391229
S2 -795.3332387546402
SO2 -547.722358286746
SO -472.6672237851831
S -397.60095919803
Si2H6 -581.5974176968832
Si2 -577.930458151929
SiH2_1A1 -290.1379861902752
SiH2_3B1 -290.1084876357421
SiH3 -290.748564778075
SiH4 -291.3918833285493
SiO -364.084780805724
Si -288.9155096541444