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

13 lines
101 B
Plaintext

#p CCSD(T) cc-pVDZ
G2
0,1
O
H,1,OH
Cl,1,OCl,2,HOCl
OH=0.96804646
OCl=1.7074574
HOCl=102.46612245