srDFT_G2/G09/Large_core/Molecules/v5z/H2O.inp
2019-04-01 13:38:24 +02:00

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%nproc=24
%mem=100GB
#p ROCCSD(T) cc-pV5Z pop=full gfprint
G2
0,1
O
H,1,OH
H,1,OH,2,HOH
OH=0.96210248
HOH=103.71685008