%chk=000186668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186668

0 1
O -2.373895 0.035029 -0.890953
C 1.775721 0.213594 0.066473
C 0.496988 -0.016933 -0.568717
C 2.566686 -0.910702 0.514213
C 2.257801 1.519958 0.241994
C -0.250640 1.055367 -1.029248
C 1.465237 2.637036 -0.205606
C 0.214121 2.403943 -0.833715
C 2.090932 -2.247964 0.345914
C 3.828032 -0.694928 1.125279
C 0.044079 -1.401424 -0.697156
C 3.544193 1.712578 0.870695
C -1.543408 0.831747 -1.774209
C 0.786729 -2.444685 -0.273391
C 4.295419 0.660522 1.292257
C 1.912723 3.985013 -0.029362
C -0.556086 3.536032 -1.256086
C 2.869332 -3.320242 0.777764
C 4.596451 -1.803439 1.554464
C 4.120479 -3.093232 1.380262
C 1.153807 5.048063 -0.450379
C -0.104713 4.818458 -1.072067
C -3.728067 -0.138079 -1.379410
C -4.386866 -1.109800 -0.436436
C -5.624263 -1.668943 -0.790657
C -3.788126 -1.447539 0.784431
C -6.256113 -2.561786 0.078661
C -4.424495 -2.343726 1.647413
C -5.658293 -2.901035 1.297230
H -0.951259 -1.560942 -1.128617
H 3.900711 2.737166 0.999527
H -2.072860 1.775934 -2.012958
H -1.373076 0.264079 -2.709553
H 0.430709 -3.470144 -0.373051
H 5.264958 0.813524 1.765137
H 2.877974 4.154087 0.452745
H -1.527807 3.358573 -1.724639
H 2.513833 -4.341523 0.652615
H 5.564232 -1.632745 2.022421
H 4.713917 -3.945105 1.710900
H 1.497569 6.071835 -0.314080
H -0.698385 5.672664 -1.393390
H -3.697952 -0.526164 -2.414019
H -4.236395 0.845116 -1.359874
H -6.094465 -1.411463 -1.736634
H -2.822952 -1.006618 1.049761
H -7.216624 -2.994955 -0.194406
H -3.956924 -2.605981 2.595202
H -6.152969 -3.597122 1.971154


%chk=000186668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186668

0 1
O -2.437973 -0.269190 -0.776802
C 2.191290 -0.038247 0.031658
C 0.970137 -0.531060 -0.595555
C 3.273076 -0.952261 0.310715
C 2.327293 1.351123 0.360255
C -0.079783 0.367519 -0.909341
C 1.222303 2.258833 0.106454
C 0.016907 1.753905 -0.519765
C 3.148018 -2.355787 0.003088
C 4.498032 -0.474762 0.902923
C 0.878452 -1.957039 -0.869406
C 3.566519 1.799461 0.947660
C -1.292309 -0.084463 -1.693609
C 1.909946 -2.824926 -0.582039
C 4.610685 0.927024 1.207276
C 1.278856 3.647855 0.456676
C -1.080526 2.659649 -0.730962
C 4.222030 -3.236571 0.284827
C 5.558514 -1.390007 1.168386
C 5.420505 -2.755584 0.862445
C 0.204148 4.507296 0.219577
C -0.992733 4.004808 -0.374331
C -3.652344 -0.643840 -1.504581
C -4.805694 -0.796922 -0.526547
C -6.088500 -1.152121 -1.016149
C -4.626209 -0.593177 0.862137
C -7.177776 -1.301764 -0.130436
C -5.718332 -0.743089 1.748578
C -6.995625 -1.097212 1.258012
H -0.048999 -2.360246 -1.284120
H 3.694125 2.856016 1.196708
H -1.560442 0.677541 -2.457758
H -1.100299 -1.030657 -2.235719
H 1.803999 -3.896622 -0.787669
H 5.541568 1.296418 1.653121
H 2.177260 4.054024 0.929176
H -2.018532 2.273524 -1.138195
H 4.114687 -4.301869 0.049483
H 6.485671 -1.014263 1.616507
H 6.241259 -3.449794 1.072263
H 0.273782 5.563859 0.500393
H -1.845192 4.673783 -0.534682
H -3.483990 -1.598453 -2.054987
H -3.891959 0.136003 -2.264996
H -6.238552 -1.312527 -2.092078
H -3.633568 -0.320187 1.230317
H -8.164358 -1.576544 -0.520736
H -5.569504 -0.583299 2.822667
H -7.839863 -1.213059 1.947061


