srDFT_G2/Big_data/Mixed_core/vdz/data_CC_vdz

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2019-04-02 12:34:52 +02:00
Be -14.617407091
BeH -15.189023417
C -37.760324327
C2H2 -77.108707577
C2H4 -78.354582318
C2H6 -79.582627286
CH -38.379911849
CH2_1A1 -39.022428864
CH2_3B1 -39.041486776
CH3 -39.715947366
CH3Cl -499.44005433
CH4 -40.387265518
CN -92.490344174
CO -113.05456271
CO2 -188.14771875
CS -435.60464203
Cl -459.59885015
Cl2 -919.26390611
ClF -559.19399877
ClO -534.57410732
F -99.527540939
F2 -199.09605301
H -0.49927840342
H2CO -114.21852437
H2O -76.241194921
H2O2 -151.19371085
H2S -398.8650923
H3COH -115.42046104
H3CSH -438.05495117
HCN -93.188167617
HCO -113.57595116
HCl -460.25461199
HF -100.22815608
HOCl -535.22898901
Li -7.4326375328
Li2 -14.901426259
LiF -107.15527695
LiH -8.0147734794
Mg -199.64469782
N -54.478432936
N2 -109.27547265
N2H4 -111.57050241
NH -55.091448548
NH2 -55.732869714
NH3 -56.402462813
NO -129.59804235
Na -161.85421262
Na2 -323.7333739
NaCl -621.58966258
O -74.90989012
O2 -149.98528959
OH -75.559315945
P -340.79132503
P2 -681.72398707
PH2 -342.0085528
PH3 -342.63762418
S -397.6004987
S2 -795.33090904
SO -472.66249747
SO2 -547.7167092
Si -288.91503251
Si2 -577.92718865
Si2H6 -581.61107115
SiH2_1A1 -290.1374325
SiH2_3B1 -290.10776142
SiH3 -290.74824476
SiH4 -291.39270607
SiO -364.08048254