2
cc-pVDZ cc-pVTZ cc-pVQZ cc-pV5Z
4
H 0.952627944162883 0.952627944162883 0.952627944162883
5
C 0.334863156129983 0.334863156129983 0.334863156129983
6
C -0.334863156129983 -0.334863156129983 -0.334863156129983
7
H -0.952627944162883 -0.952627944162883 -0.952627944162883
21
test_molecule_symmetry:
22
auto d2h c2v cs c2 ci c1
24
symmetry test series 2
44
H 0.952627944162883 0.952627944162883 0.952627944162883
45
C 0.334863156129983 0.334863156129983 0.334863156129983
46
C -0.334863156129983 -0.334863156129983 -0.334863156129983
47
H -0.952627944162883 -0.952627944162883 -0.952627944162883
50
c2h2ns c2h2 c2h2 c2h2 c2h2 c2h2 c2h2
53
test_molecule_gradient:
54
no yes yes yes yes yes yes