srDFT_G2/Ref/Molecules/g09/VDZ/H2CO.inp

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2019-03-26 11:00:25 +01:00
#p ROCCSD(T) cc-pVDZ pop=full gfprint
G2
0,1
O
C,1,RCO
H,2,RH,1,THETA
H,2,RH,1,THETA,3,180.,0
RCO=1.19995954
THETA=122.47953272
RH=1.1108676