srDFT_G2/Big_data/Small_core/vdz/data_CC+PBE_val_vdz
2019-03-28 00:30:26 +01:00

69 lines
1.3 KiB
Plaintext

Be -14.6547566354
BeH -15.2300587419
C -37.7769856876
C2H2 -77.1804343242
C2H4 -78.433121446
C2H6 -79.6689947351
CH -38.4066115013
CH2_1A1 -39.0573509975
CH2_3B1 -39.0712701227
CH3 -39.7553991269
CH3Cl -499.550690059
CH4 -40.4337214769
CN -92.564387757
CO -113.150214198
CO2 -188.315562936
CS -435.682809149
Cl -459.659943349
Cl2 -919.397194851
ClF -559.348742255
ClO -534.703187344
F -99.6096596349
F2 -199.269685243
H -0.49927840342
H2CO -114.324866204
H2O -76.3172348737
H2O2 -151.33523087
H2S -398.921042282
H3COH -115.536151905
H3CSH -438.152055113
HCN -93.2708378278
HCO -113.675317145
HCl -460.324278924
HF -100.322204219
HOCl -535.366645568
Li -7.4657074109
Li2 -14.9687869694
LiF -107.283820433
LiH -8.0521009602
Mg -199.905632425
N -54.504132476
N2 -109.369066593
N2H4 -111.683179286
NH -55.1309285421
NH2 -55.783673742
NH3 -56.4624380292
NO -129.707147671
Na -162.103959558
Na2 -324.233410056
NaCl -621.91219491
O -74.9628973433
O2 -150.109591855
OH -75.625113448
P -340.812674149
P2 -681.796195533
PH2 -342.04633609
PH3 -342.681708166
S -397.640515222
S2 -795.427282604
SO -472.774401395
SO2 -547.906800012
Si -288.929922073
Si2 -577.969084699
Si2H6 -581.679448471
SiH2_1A1 -290.161815661
SiH2_3B1 -290.129320513
SiH3 -290.778033974
SiH4 -291.428507048
SiO -364.172229488