loos/srDFT_G2
1
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity

all Klopper references AE for G2

Browse Source
This commit is contained in:
Emmanuel Giner 2019-03-25 21:31:41 +01:00
parent 0022e17f9d
commit 069dd6b554
1 changed files with 25 additions and 25 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

50
Ref/data_HF_LDA_VTZ
View File

@ -17,40 +17,40 @@ Cl2 247.16 248.22
ClF 261.80 262.43
ClO 270.00 271.20
F2 162.15 162.31
H2CO
H2CO 1561.51 1567.43
H2O 973.05 974.94
H2O2 1124.05 1126.34
H2S 766.92 768.72
H3COH 2141.49 2147.84
H3CSH 4016.15 4038.49
HCN 1303.41 1310.97
HCO
HCO 1164.33 1169.59
HCl 448.52 449.58
HF 592.09 593.02
HOCl 693.67 695.38
Li2 101.24 101.24
Li2 101.24 101.24
LiF 583.12 583.99
LiH 242.27 242.27
N2 951.59 955.82
N2 951.59 955.82
N2H4 1827.15 1832.69
NH 346.38 347.02
NH2 761.30 762.95
NH3 1242.94 1245.99
NO 636.75 639.28
Na2 71.55 71.78
NaCl 411.98 412.96
O2 504.36 505.88
OH 447.50 448.30
P2 485.14 489.29
PH2 644.21 645.47
PH3 1010.33 1012.24
S2 431.42 433.94
SO 526.33 528.72
SO2 1086.86 1091.61
Si2 431.42 433.94
Si2H6 2626.11 2631.54
SiH2_1A1 642.99 643.11
SiH2_3B1 557.56 555.72
SiH3 954.30 953.44
SiH4 1358.08 1357.91
SiO 804.83 809.19
NH 346.38 347.02
NH2 761.30 762.95
NH3 1242.94 1245.99
NO 636.75 639.28
Na2 71.55 71.78
NaCl 411.98 412.96
O2 504.36 505.88
OH 447.50 448.30
P2 485.14 489.29
PH2 644.21 645.47
PH3 1010.33 1012.24
S2 431.42 433.94
SO 526.33 528.72
SO2 1086.86 1091.61
Si2 431.42 433.94
Si2H6 2626.11 2631.54
SiH2_1A1 642.99 643.11
SiH2_3B1 557.56 555.72
SiH3 954.30 953.44
SiH4 1358.08 1357.91
SiO 804.83 809.19