srDFT_G2/Big_data/Large_core/vtz/data_HF_5z+ec+PBE_val_vtz
2019-04-12 12:24:44 +02:00

69 lines
1.3 KiB
Plaintext

Be -14.6194089493
BeH -15.1989020569
C -37.7890998984
C2H2 -77.2195094207
C2H4 -78.4728474972
C2H6 -79.7105843101
CH -38.4228652577
CH2_1A1 -39.0770527936
CH2_3B1 -39.0910974848
CH3 -39.7778164814
CH3Cl -499.619594298
CH4 -40.4572207591
CN -92.6036375772
CO -113.205119673
CO2 -188.41387115
CS -435.733580291
Cl -459.703203263
Cl2 -919.497761008
ClF -559.466084911
ClO -534.804805792
F -99.6660812575
F2 -199.391610798
H -0.499994535159
H2CO -114.38691817
H2O -76.3726856517
H2O2 -151.432219743
H2S -398.963943613
H3COH -115.607226882
H3CSH -438.215256076
HCN -93.3143136761
HCO -113.734919784
HCl -460.373063757
HF -100.390657959
HOCl -535.467810757
Li -7.43272230705
Li2 -14.9038236748
LiF -107.317475454
LiH -8.02440450716
Mg -199.896752125
N -54.5282887505
N2 -109.420079568
N2H4 -111.752643526
NH -55.1603139378
NH2 -55.8182837241
NH3 -56.5019236491
NO -129.77335916
Na -161.858638846
Na2 -323.74353526
NaCl -621.716665952
O -75.0027943012
O2 -150.194847718
OH -75.6728614529
P -340.831126727
P2 -681.84451618
PH2 -342.07504992
PH3 -342.71421858
S -397.673412539
S2 -795.506999332
SO -472.873544627
SO2 -548.086092449
Si -288.939882816
Si2 -577.99821667
Si2H6 -581.729509553
SiH2_1A1 -290.182516001
SiH2_3B1 -290.149648773
SiH3 -290.801669099
SiH4 -291.455700754
SiO -364.246842265