%chk=000192007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192007

0 1
O -0.225940 2.082229 -0.540246
O -2.675080 -1.428612 -1.535224
O -4.297077 -1.418527 1.703654
O -0.286603 -2.523147 0.804912
C -2.452628 1.132930 -0.181106
C -1.850695 -0.162440 0.417702
C -2.689521 -1.359260 -0.096439
C -1.549925 2.351819 0.084872
C -4.199783 -1.217464 0.275337
C -3.886574 1.325170 0.335024
C -4.774029 0.157472 -0.109231
C -0.390061 -0.274427 0.081347
C 0.324845 0.844231 -0.398649
C -1.974362 3.597130 -0.688608
C -1.282919 2.645841 1.556153
C -5.012035 -2.370591 -0.303608
C 0.368446 -1.447465 0.252923
C 1.677093 0.776101 -0.785181
C 2.368285 -0.428297 -0.647390
C 1.717404 -1.550877 -0.108298
C 3.813032 -0.522435 -1.055567
C 4.731547 -0.195721 0.132838
C 6.210583 -0.292299 -0.260253
C 7.127125 0.035011 0.927191
C 8.602188 -0.059451 0.544124
H -2.499449 0.988239 -1.296647
H -1.942754 -0.146438 1.535245
H -2.293804 -2.324754 0.299327
H -4.308420 2.272740 -0.052663
H -3.895836 1.420456 1.437137
H -5.788077 0.264771 0.319891
H -4.898243 0.181390 -1.212600
H -2.816691 4.106095 -0.210513
H -1.141304 4.312921 -0.752268
H -2.257134 3.359901 -1.721745
H -0.539130 3.446636 1.665890
H -2.190845 2.960476 2.079753
H -0.876877 1.770852 2.079854
H -4.780672 -3.306553 0.223506
H -6.088998 -2.206670 -0.199705
H -4.776008 -2.515200 -1.367801
H -1.748918 -1.383292 -1.854885
H -3.968714 -0.645152 2.196013
H 2.159377 1.669642 -1.171492
H 2.258173 -2.478790 0.030818
H 4.041447 -1.535148 -1.445654
H 4.024166 0.168621 -1.897697
H 0.306771 -3.310112 0.904343
H 4.514021 -0.884464 0.972707
H 4.502815 0.820901 0.510074
H 6.437523 -1.307090 -0.639779
H 6.425746 0.396637 -1.099806
H 6.914695 -0.653711 1.768332
H 6.903961 1.051905 1.305862
H 8.856037 0.638853 -0.261571
H 9.248415 0.176234 1.397216
H 8.867209 -1.065815 0.200580


%chk=000192007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192007

0 1
O -0.308971 2.131619 -0.665169
O -2.634517 -1.427510 -1.594816
O -4.355422 -1.394025 1.719711
O -0.257854 -2.458463 1.019064
C -2.511902 1.167119 -0.174998
C -1.902660 -0.136103 0.415546
C -2.725543 -1.352635 -0.121783
C -1.603445 2.396171 0.075009
C -4.236001 -1.239341 0.240788
C -3.978167 1.326484 0.285090
C -4.820743 0.121677 -0.203120
C -0.409849 -0.228863 0.093746
C 0.287541 0.877824 -0.471938
C -2.125305 3.671305 -0.602277
C -1.260952 2.645951 1.558339
C -5.025222 -2.421541 -0.330876
C 0.376221 -1.387810 0.346942
C 1.643438 0.791991 -0.871802
C 2.376231 -0.394615 -0.669251
C 1.731700 -1.485860 -0.033724
C 3.844952 -0.486422 -1.055266
C 4.803211 -0.208436 0.136793
C 6.292909 -0.312882 -0.257795
C 7.256008 -0.045953 0.921520
C 8.743187 -0.152298 0.519732
H -2.532841 1.034585 -1.277751
H -2.023881 -0.142008 1.520974
H -2.337975 -2.279987 0.332526
H -4.415722 2.255408 -0.124220
H -4.032407 1.423672 1.391917
H -5.860414 0.198075 0.167631
H -4.853494 0.136265 -1.308835
H -2.981605 4.093547 -0.048672
H -1.322678 4.428452 -0.627210
H -2.438094 3.465227 -1.640890
H -0.607362 3.530667 1.650110
H -2.180098 2.834051 2.142532
H -0.735246 1.785005 2.005592
H -4.663891 -3.364250 0.116154
H -6.097390 -2.315509 -0.088858
H -4.894149 -2.474876 -1.423348
H -1.678934 -1.546045 -1.831412
H -4.074671 -0.550341 2.157578
H 2.108260 1.674513 -1.322361
H 2.291895 -2.410025 0.165155
H 4.067841 -1.494806 -1.458464
H 4.065730 0.236586 -1.864175
H 0.385576 -3.193654 1.174751
H 4.584150 -0.922996 0.956081
H 4.592211 0.801954 0.540961
H 6.494417 -1.323318 -0.672475
H 6.508411 0.406167 -1.075881
H 7.039883 -0.764656 1.738330
H 7.054648 0.963280 1.335075
H 8.991737 0.575848 -0.275372
H 9.410209 0.045065 1.378996
H 8.978837 -1.162280 0.134094


