%chk=000179542.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179542

0 1
O -4.475859 0.212633 -0.620123
O -3.654238 0.935882 1.357846
O -7.804256 -0.147108 0.700111
O -6.117136 -1.621030 0.665622
C 4.107004 0.338207 0.257027
C 2.831810 -0.369075 -0.221421
C 5.367568 -0.397320 -0.217527
C 1.571929 0.367352 0.253246
C 6.642914 0.309663 0.261014
C 0.296930 -0.340174 -0.225441
C 7.903359 -0.425492 -0.213760
C -0.958448 0.399183 0.252245
C 9.179994 0.280735 0.264191
C -2.231314 -0.303553 -0.232754
C 10.437843 -0.446805 -0.205494
C -3.456107 0.357059 0.319730
C -5.804627 0.669501 -0.262517
C -6.457389 1.061912 -1.571836
C -6.513107 -0.517791 0.394766
H 4.106570 0.408812 1.362002
H 4.119798 1.382231 -0.111153
H 2.820229 -1.412806 0.148041
H 2.833695 -0.440439 -1.326237
H 5.355801 -1.441207 0.151131
H 5.369102 -0.468168 -1.322324
H 1.585766 1.411695 -0.114581
H 1.571806 0.437901 1.358622
H 6.655189 1.353699 -0.107007
H 6.642136 0.379892 1.365907
H 0.299025 -0.411485 -1.330545
H 0.286276 -1.384137 0.144743
H 7.892984 -1.469542 0.153878
H 7.905947 -0.496779 -1.318357
H -0.967128 0.465086 1.360904
H -0.944933 1.447033 -0.108353
H 9.179866 0.350708 1.369602
H 9.192885 1.325048 -0.104601
H -2.239253 -1.372116 0.086100
H -2.272415 -0.335152 -1.344213
H 10.488681 -0.500405 -1.298898
H 10.475594 -1.474049 0.174500
H 11.343276 0.064216 0.140315
H -5.730396 1.513664 0.469391
H -6.351398 0.271580 -2.329927
H -5.992782 1.965364 -1.990284
H -7.531096 1.260880 -1.435378
H -8.315898 -0.871702 1.150599


%chk=000179542-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179542

0 1
O -4.633387 0.245715 -0.866486
O -3.704411 1.065194 1.110399
O -7.587174 0.096308 1.316765
O -5.853114 -1.430904 1.037338
C 4.147772 0.302015 0.294984
C 2.857966 -0.271614 -0.333784
C 5.437200 -0.355365 -0.246695
C 1.568250 0.390187 0.201384
C 6.728460 0.218997 0.378811
C 0.280920 -0.182204 -0.433203
C 8.017736 -0.435731 -0.166599
C -1.004190 0.485723 0.102379
C 9.309468 0.139762 0.457996
C -2.274351 -0.086456 -0.558614
C 10.592343 -0.519868 -0.092900
C -3.556114 0.478042 0.017418
C -5.969989 0.629681 -0.367155
C -6.916140 0.620539 -1.575687
C -6.408258 -0.363844 0.717834
H 4.106711 0.174364 1.397048
H 4.189374 1.396129 0.110950
H 2.814476 -1.364994 -0.145944
H 2.902410 -0.147781 -1.436346
H 5.396422 -1.449383 -0.061789
H 5.476966 -0.228688 -1.349072
H 1.613266 1.483689 0.015548
H 1.520989 0.264374 1.303106
H 6.768092 1.313477 0.196062
H 6.690593 0.090009 1.480950
H 0.332528 -0.059556 -1.535647
H 0.235421 -1.275254 -0.243471
H 7.980217 -1.530187 0.016766
H 8.056726 -0.307445 -1.268836
H -1.072626 0.352085 1.198424
H -0.957152 1.578619 -0.073053
H 9.269677 0.011073 1.559108
H 9.346072 1.233191 0.274724
H -2.317156 -1.186072 -0.416493
H -2.274496 0.075973 -1.652327
H 10.671076 -0.379606 -1.187677
H 10.594316 -1.608501 0.105469
H 11.500687 -0.090740 0.368973
H -5.917495 1.629955 0.100313
H -6.938193 -0.377420 -2.044895
H -6.565960 1.351410 -2.323183
H -7.935753 0.892748 -1.256731
H -7.873979 -0.544048 2.022638


