7
H 0.0000000000 0.0000000000 2.4523138425
8
Si 0.0000000000 0.0000000000 0.9986062335
9
Si 0.0000000000 0.0000000000 -0.9986062335
10
H 0.0000000000 0.0000000000 -2.4523138425
17
P -0.0030062008 0.4698128553 0.0000000000
18
H -0.6149106543 -0.1558454669 1.0546274364
19
H -0.6149106543 -0.1558454669 -1.0546274364
20
H 1.2128275196 -0.1581219416 0.0000000000
22
test_molecule_symmetry:
23
c2v d2h c2v c2v cs c2v c2v d2h
29
STO-2G STO-3G STO-3G* STO-6G
30
3-21G 3-21G* 3-21++G 3-21++G*
32
6-31G 6-31G* 6-31G** 6-31++G 6-31++G* 6-31++G**
33
6-311G 6-311G* 6-311G** 6-311++G**
34
cc-pVDZ cc-pVTZ cc-pVQZ cc-pV5Z
35
aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ aug-cc-pV5Z
36
cc-pCVDZ cc-pCVTZ cc-pCVQZ cc-pCV5Z
37
aug-cc-pCVDZ aug-cc-pCVTZ aug-cc-pCVQZ aug-cc-pCV5Z
38
pc-0 pc-1 pc-2 pc-3 pc-4
39
pc-0-aug pc-1-aug pc-2-aug pc-3-aug pc-4-aug
42
H 0.0000000000 0.0000000000 0.6263305932
43
Cl 0.0000000000 0.0000000000 -0.6263305932
54
nah mgh2 alh sih2 ph3 h2s hcl ar
56
basis set test series 2
58
H 0.0000000000 0.0000000000 0.6263305932
59
Cl 0.0000000000 0.0000000000 -0.6263305932
64
H 1.4266912574 0.0000000000 1.9754060128
65
H -1.4266912574 0.0000000000 1.9754060128
66
Al 0.0000000000 0.0000000000 1.2786127653
67
H 0.0000000000 1.1522921575 0.0000000000
68
H 0.0000000000 -1.1522921575 0.0000000000
69
Al 0.0000000000 0.0000000000 -1.2786127653
70
H 1.4266912574 0.0000000000 -1.9754060128
71
H -1.4266912574 0.0000000000 -1.9754060128
74
S 0.0000000000 0.0000000000 0.5802901601
75
H 0.9900398836 0.0000000000 -0.2851450800
76
H -0.9900398836 0.0000000000 -0.2851450800