%chk=000179577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179577

0 1
O 5.700790 2.805057 -1.108144
O -0.841639 -0.910204 -0.742876
O -4.831107 0.878085 1.200388
O -6.615857 1.730478 2.154080
C 2.508446 0.246992 0.210900
C 3.890159 -0.405459 -0.117406
C 5.108021 0.565428 -0.208627
C 1.416323 -0.845919 -0.091507
C 2.263350 1.450927 -0.735085
C 4.711812 1.753611 -1.142769
C 3.418578 2.449146 -0.713228
C 4.155622 -1.572260 0.852825
C 2.384688 0.695032 1.673506
C 1.750059 -2.189520 0.526332
C 6.284162 -0.177704 -0.883095
C 5.585230 1.094769 1.147988
C 2.988902 -2.506429 0.930765
C 0.022781 -0.347644 0.311167
C 0.636956 -3.187676 0.608598
C -2.179807 -0.685819 -0.678704
C -2.829512 0.040022 0.316526
C -2.890094 -1.284302 -1.764429
C -4.226966 0.164446 0.213204
C -4.257115 -1.142293 -1.835103
C -4.968553 -0.412538 -0.846393
C -6.394301 -0.227772 -0.862795
C -6.272034 1.079580 1.208270
C -7.007164 0.481195 0.114870
H 3.781867 -0.850449 -1.143193
H 1.393761 -1.015994 -1.206283
H 1.324379 1.968110 -0.456914
H 2.102508 1.091525 -1.770598
H 4.643243 1.407404 -2.199084
H 3.216916 3.303327 -1.389425
H 3.546608 2.900376 0.290034
H 4.386098 -1.190013 1.869345
H 5.060488 -2.127387 0.530777
H 1.500099 1.313086 1.848503
H 2.332240 -0.163059 2.353667
H 3.256386 1.297710 1.978728
H 6.608543 -1.035931 -0.282891
H 6.018790 -0.560646 -1.873509
H 7.155514 0.475077 -0.999152
H 4.746792 1.482759 1.748307
H 6.085493 0.322681 1.738685
H 6.287016 1.929829 1.020267
H 3.215429 -3.484216 1.352045
H -0.318055 -0.727093 1.287364
H -0.078205 0.750973 0.264177
H 6.589992 2.441961 -1.281521
H -0.126480 -3.020765 -0.167737
H 0.994954 -4.218018 0.486150
H 0.128521 -3.136830 1.580978
H -2.319581 0.505913 1.153571
H -2.326226 -1.838010 -2.511987
H -4.814624 -1.592949 -2.659076
H -6.965218 -0.673375 -1.682137
H -8.085876 0.643876 0.137952


%chk=000179577-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179577

0 1
O 5.840511 2.828201 -1.168285
O -0.881086 -1.010574 -0.890579
O -4.807904 0.968748 1.195757
O -6.641591 1.925504 2.227125
C 2.512223 0.273924 0.219325
C 3.933255 -0.363812 -0.049064
C 5.179499 0.611780 -0.125003
C 1.450518 -0.829218 -0.185331
C 2.325102 1.516625 -0.708663
C 4.799894 1.785885 -1.087844
C 3.511589 2.499692 -0.673765
C 4.166833 -1.565389 0.897712
C 2.289639 0.681457 1.703028
C 1.751079 -2.210282 0.423410
C 6.366615 -0.168309 -0.767354
C 5.670364 1.161714 1.241318
C 2.983891 -2.508243 0.917527
C 0.007377 -0.363883 0.108298
C 0.653145 -3.261113 0.404124
C -2.250350 -0.783561 -0.789557
C -2.851479 0.021669 0.205244
C -3.046905 -1.430689 -1.783002
C -4.253156 0.167390 0.195171
C -4.434393 -1.269862 -1.773101
C -5.075974 -0.467036 -0.782974
C -6.501733 -0.256440 -0.707963
C -6.255792 1.196486 1.294824
C -7.062256 0.531457 0.276713
H 3.852414 -0.790943 -1.076422
H 1.499405 -0.931873 -1.292936
H 1.401909 2.065029 -0.438254
H 2.187179 1.165966 -1.753951
H 4.646645 1.340641 -2.100652
H 3.331565 3.336795 -1.372543
H 3.636738 2.945894 0.329724
H 4.388175 -1.216307 1.927797
H 5.062304 -2.133100 0.578428
H 1.285488 1.126111 1.837155
H 2.362339 -0.187537 2.379506
H 3.016474 1.436747 2.039510
H 6.722433 -0.984975 -0.115465
H 6.079971 -0.608726 -1.741914
H 7.238954 0.495203 -0.931722
H 4.928376 1.802443 1.743471
H 5.933681 0.339521 1.930554
H 6.572886 1.780047 1.089782
H 3.155480 -3.507964 1.342254
H -0.321249 -0.648852 1.126479
H -0.096765 0.730646 -0.009043
H 6.668931 2.428622 -1.535842
H 0.294891 -3.443355 -0.626485
H 1.019291 -4.215330 0.821762
H -0.236915 -2.956936 0.987808
H -2.280183 0.537010 0.980020
H -2.543386 -2.042756 -2.536031
H -5.047352 -1.765312 -2.534615
H -7.145497 -0.737662 -1.453918
H -8.139997 0.697932 0.344753


