srDFT_G2/Ref/Molecules/g09/VDZ/HOCl.inp
2019-03-26 11:00:25 +01:00

13 lines
119 B
Plaintext

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