srDFT_G2/Data/data_last/G2_CIPSI_VTZ_PBE_valence.dat

68 lines
1.3 KiB
Plaintext

Be -14.6547092345
BeH -15.2346989398
C -37.7868299026
C2H2 -77.2176497334
C2H4 -78.4704727238
C2H6 -79.7092873901
CH -38.4204720943
CH2_1A1 -39.0747376879
CH2_3B1 -39.089457399
CH3 -39.7759876006
CH3Cl -499.615421254
CH4 -40.4554115428
CN -92.6013585185
CO -113.199977211
CO2 -188.407644441
CS -435.729526518
Cl -459.702435342
Cl2 -919.495058537
ClF -559.456639237
ClO -534.798640642
F -99.6606775689
F2 -199.381693328
H -0.49980981
H2CO -114.381357429
H2O -76.3664100105
H2O2 -151.422924214
H2S -398.960499282
H3COH -115.600611071
H3CSH -438.210883493
HCN -93.3113966598
HCO -113.72808334
HCl -460.371314015
HF -100.384071251
HOCl -535.461911149
Li -7.4685922849
Li2 -14.9758939758
LiF -107.347338481
LiH -8.0602176739
N -54.5251166857
N2 -109.416105397
N2H4 -111.741154303
NH -55.1572789335
NH2 -55.8146080313
NH3 -56.4977073847
NO -129.76819016
Na -162.102040155
Na2 -324.23178911
NaCl -621.958741337
O -74.99881531
O2 -150.189340168
OH -75.6678986024
P -340.831235037
P2 -681.844525759
PH2 -342.072461619
PH3 -342.710226543
S -397.672641552
S2 -795.510293462
SO -472.864472491
SO2 -548.063415649
Si -288.939329878
Si2 -577.993988819
Si2H6 -581.722972085
SiH2_1A1 -290.18060986
SiH2_3B1 -290.148029821
SiH3 -290.797507131
SiH4 -291.450402612
SiO -364.237306659