srDFT_G2/Ref/Molecules/g09/PH2.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
0,2
P
X,1,1.
H,1,R,2,A
H,1,R,2,A,3,180.,0
R=1.42692167
A=45.79311753