%chk=000000716.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000716

0 1
O -0.017627 -0.949193 -0.023573
O 0.879830 1.313006 -1.819715
O 1.273327 0.172459 1.671241
O -1.087983 1.593355 1.307320
O 2.996512 -1.517045 0.605548
O -3.530110 -0.805176 -0.839224
C 0.594725 1.347230 -0.384160
C 1.084070 0.009769 0.236570
C -0.931533 1.273962 -0.131002
C -1.231244 -0.206582 -0.467943
C 2.421095 -0.531533 -0.299789
C -2.458910 -0.866885 0.167818
H 1.061086 2.213624 0.119141
H -1.516946 1.979446 -0.749265
H -1.328008 -0.295045 -1.567308
H 3.112414 0.324532 -0.448413
H 2.251235 -1.027425 -1.265965
H -2.775116 -0.354008 1.103476
H -2.178880 -1.905974 0.427610
H 0.687238 2.201332 -2.218244
H 0.442334 0.586296 2.041833
H -2.028032 1.542965 1.562690
H 2.751136 -1.231153 1.526701
H -4.306115 -1.349357 -0.538846


%chk=000000716-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000716

0 1
O 0.111881 -1.010571 -0.413072
O 1.013210 1.360875 -1.868640
O 0.914698 0.082468 1.605571
O -1.354081 1.507957 0.996127
O 2.941819 -1.433973 0.838347
O -3.384614 -0.039290 0.308762
C 0.564468 1.326098 -0.475020
C 1.043599 -0.005181 0.155492
C -0.972860 1.171952 -0.392551
C -1.183662 -0.341655 -0.702617
C 2.492273 -0.433386 -0.120674
C -2.264816 -1.011232 0.168204
H 0.914334 2.199334 0.106000
H -1.511153 1.822587 -1.104099
H -1.389891 -0.478500 -1.778432
H 3.135102 0.471503 -0.081572
H 2.558274 -0.879983 -1.122632
H -1.832421 -1.246131 1.158471
H -2.621633 -1.942661 -0.306379
H 0.913935 2.280697 -2.219481
H 0.064328 0.576245 1.814943
H -2.316176 1.228349 1.080343
H 2.519183 -1.199108 1.708331
H -4.191302 -0.487793 0.661080


