srDFT_G2/Ref/Molecules/g09/PH2.inp
2019-03-25 22:30:19 +01:00

13 lines
95 B
Plaintext

#p CCSD(T) cc-pVDZ
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