srDFT_G2/Data/Bk4-cc-pVDZ/G2_Bk4-cc-pVDZ.dat
Pierre-Francois Loos 813602bcf6 Initial commit
2018-12-04 15:15:01 +01:00

67 lines
1.5 KiB
Plaintext

BeH -15.18923293368053
Be -14.61740974956019
C2H2 -77.11099728268788
C2H4 -78.35739525475378
C2H6 -79.58273555923019
CH2_1A1 -39.02293325300138
CH2_3B1 -39.04193954887175
CH3Cl -498.6078199915946
CH3 -39.71643676422097
CH4 -40.38768793409723
CH -38.38024792908658
CN -92.49436138725075
CO2 -188.0907894570557
CO -112.5384361442904
CS -435.6071100143241
C -37.76050128286933
Cl2 -919.2652031601143
ClF -559.1961936010588
ClO -534.0032858071756
Cl -459.5992205103847
F2 -199.1003299329523
F -99.52771310737391
H2CO -113.5801367855701
H2O2 -150.4686069791215
H2O -75.14580190076751
H2S -398.8653550166674
H3COH -114.4382922237069
H3CSH -437.2985390430724
HCN -93.1712542988858
HCO -113.5781555624843
HCl -459.464327512553
HF -100.228706053124
HOCl -534.530816107002
H -0.4992784
Li2 -14.90139300478348
LiF -106.7521501614273
LiH -8.014723932016945
Li -7.432637527137972
N2H4 -111.5706968147662
N2 -109.277398933453
NH2 -55.73309955953641
NH3 -56.40292567837424
NH -54.68547507878302
NO -129.1681179326039
N -54.47836087700479
Na2 -323.7337828624877
NaCl -621.1854410556728
Na -161.8542094300963
O2 -149.9891575444194
OH {}[[1,1]]
O -74.90997155566097
P2 -681.7094138306169
PH2 -341.6434392005393
PH3 -342.63860411105
P -340.7916525390768
S2 -794.939440750407
SO2 -547.6292901265276
SO -472.6653252422812
S -397.6008807048317
Si2H6 -580.9039036716997
Si2 -577.9289836514025
SiH2_1A1 -290.1379820766024
SiH2_3B1 -290.1083685085579
SiH3 -290.7483059286592
SiH4 -291.3933456158419
SiO -364.0832641980149
Si -288.9155096541949