loos/srDFT_G2
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beginning to update dat

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Emmanuel Giner 2019-03-25 21:15:47 +01:00
parent 01427c87bd
commit a75cffe764
1 changed files with 56 additions and 0 deletions
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val full
BeH 212.50 212.50
C2H2 1685.16 1695.79
C2H4 2348.65 2358.75
C2H6 2971.49 2981.64
CH 350.91 351.60
CH2_1A1 755.71 757.45
CH2_3B1 793.88 797.23
CH3 1282.77 1287.21
CH3Cl 1650.66 1656.17
CH4 1752.56 1757.82
CN 753.39 758.56
CO 1083.14 1087.57
CO2 1625.87 1633.95
CS 715.40 719.47
Cl2 247.16 248.22
ClF 261.80 262.43
ClO 270.00 271.20
F2 162.15 162.31
H2CO
H2O 973.05 974.94
H2O2 1124.05 1126.34
H2S 766.92 768.72
H3COH 2141.49 2147.84
H3CSH
HCN
HCO
HCl
HF
HOCl
Li2
LiF
LiH
N2
N2H4
NH
NH2
NH3
NO
Na2
NaCl
O2
OH
P2
PH2
PH3
S2
SO
SO2
Si2
Si2H6
SiH2_1A1
SiH2_3B1
SiH3
SiH4
SiO