srDFT_G2/Ref/Molecules/g09/H2S.inp

13 lines
111 B
Plaintext
Raw Normal View History

2019-03-25 22:47:41 +01:00
#p CCSD(T) cc-pVDZ pop=full gfprint
2019-03-25 22:30:19 +01:00
G2
0,1
S
X,1,1.
H,1,R,2,A
H,1,R,2,A,3,180.,0
R=1.34531822
A=46.20925632