%chk=000180386.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180386

0 1
O -0.385690 1.234892 -0.449419
O -3.445951 0.201125 0.534923
C 5.610838 -0.905366 0.404068
C 5.202091 0.572520 0.197870
C 7.051891 -1.001264 0.950519
C 5.423994 -1.708432 -0.899145
C 3.714348 0.739670 0.064709
C 8.117497 -0.396390 0.040303
C 5.519303 -3.216326 -0.679711
C 3.134779 0.978572 -1.196644
C 2.890178 0.661388 1.194470
C 1.760379 1.137613 -1.329876
C 1.503315 0.817500 1.089470
C 0.956126 1.053809 -0.175303
C -1.324480 1.161290 0.662776
C -2.677849 1.304276 -0.030771
C -4.721473 -0.013429 0.057662
C -6.651231 -1.440419 0.298300
C -5.350638 -1.108933 0.680850
C -5.354322 0.751200 -0.927788
C -7.307303 -0.681288 -0.693874
C -6.659730 0.396140 -1.292690
C -7.356946 -2.595648 0.930053
H 4.933342 -1.345141 1.179635
H 5.724379 0.982980 -0.688984
H 5.569199 1.179545 1.050944
H 7.290293 -2.069203 1.131398
H 7.096127 -0.513852 1.944125
H 6.173311 -1.389845 -1.649058
H 4.434332 -1.465512 -1.337015
H 9.122244 -0.567483 0.442356
H 7.989771 0.685348 -0.074029
H 8.084551 -0.839183 -0.962779
H 5.359500 -3.761115 -1.616915
H 4.767017 -3.568465 0.035223
H 6.503165 -3.507651 -0.294267
H 3.769547 1.039566 -2.080615
H 3.329683 0.475494 2.174269
H 1.295772 1.321292 -2.295382
H 0.885606 0.750509 1.977750
H -1.105416 1.981187 1.365523
H -1.232695 0.177263 1.164603
H -2.583967 1.169074 -1.126925
H -3.192176 2.249802 0.204635
H -4.813529 -1.671184 1.439186
H -4.867627 1.590674 -1.407342
H -8.319263 -0.941803 -0.989501
H -7.172453 0.977589 -2.059820
H -7.614488 -3.359513 0.181768
H -6.755771 -3.092080 1.703104
H -8.295879 -2.277392 1.405661


%chk=000180386-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180386

0 1
O -0.358309 0.732018 -0.709208
O -3.685032 -0.257248 0.412159
C 5.906542 -0.847210 0.439714
C 5.279825 0.580365 0.562339
C 7.329734 -0.889643 1.068746
C 5.861962 -1.355356 -1.026555
C 3.789215 0.627782 0.256218
C 8.401617 -0.040515 0.346685
C 6.343716 -2.810992 -1.209659
C 3.295680 1.195744 -0.948940
C 2.843208 0.086985 1.161917
C 1.918689 1.218945 -1.243676
C 1.456983 0.097900 0.887880
C 0.995601 0.665624 -0.324986
C -1.349225 0.149981 0.202911
C -2.695984 0.339918 -0.492691
C -5.034511 -0.229165 0.010504
C -7.325203 -0.867716 0.630929
C -5.943541 -0.830392 0.916074
C -5.494002 0.346190 -1.197463
C -7.788855 -0.288739 -0.583758
C -6.880262 0.307785 -1.480072
C -8.302428 -1.514163 1.598572
H 5.270613 -1.532440 1.043218
H 5.817839 1.271182 -0.115372
H 5.459968 0.942258 1.595194
H 7.674907 -1.941330 1.111687
H 7.254188 -0.550758 2.122866
H 6.466044 -0.680647 -1.667495
H 4.819707 -1.272797 -1.391508
H 9.376192 -0.124891 0.861910
H 8.129877 1.030660 0.325811
H 8.548369 -0.372035 -0.697514
H 6.200087 -3.145606 -2.253694
H 5.776675 -3.500422 -0.555329
H 7.416457 -2.925255 -0.968985
H 4.003202 1.627081 -1.667450
H 3.191677 -0.348530 2.106966
H 1.539946 1.657143 -2.172342
H 0.760152 -0.326727 1.616856
H -1.340764 0.672390 1.179866
H -1.148330 -0.927186 0.366712
H -2.699091 -0.174370 -1.473882
H -2.904243 1.416825 -0.647692
H -5.546875 -1.264380 1.840201
H -4.806153 0.814516 -1.907234
H -8.859306 -0.308725 -0.819724
H -7.245952 0.751536 -2.413065
H -8.829253 -2.364231 1.125433
H -7.791662 -1.893707 2.499789
H -9.075990 -0.794251 1.925437


