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

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