srDFT_G2/G09/Mixed_core/Molecules/vdz/HCO.inp

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2019-04-01 12:09:35 +02:00
#p ROCCSD(T) cc-pVDZ pop=full gfprint
G2
0,2
C
O,1,CO
H,1,CH,2,HCO
CO=1.17621067
CH=1.12859543
HCO=124.03532275