%chk=000180849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180849

0 1
S 4.904696 0.354937 -1.000389
F 5.771758 -1.020041 1.058793
F 4.745186 0.742329 1.582890
F 7.570909 0.863879 2.005503
F 7.867825 0.559372 -0.059184
F -5.400048 -1.667687 1.939798
F -5.946292 1.798082 -1.170363
O 5.089210 1.753632 -1.335225
O 5.563793 -0.662161 -1.781436
O -1.587693 1.769241 0.157415
O -4.088830 1.470705 1.678913
N -0.914628 -0.445008 -0.144082
N -3.213745 0.094832 0.035026
C 3.244989 0.028423 -0.762065
C 2.692352 -1.262827 -0.673918
C 1.306931 -1.420368 -0.432913
C 5.648046 0.271450 0.692816
C 0.485039 -0.268997 -0.335222
C 2.406281 1.155346 -0.656204
C 1.046091 1.020355 -0.449743
C 3.538119 -2.480818 -0.819088
C 0.740767 -2.799322 -0.282484
C 6.963335 1.064790 0.812536
C -1.862673 0.602887 0.042617
C -4.274342 0.667819 0.806089
C -5.602238 0.101569 0.413298
C -6.143034 -1.032075 1.039065
C -6.417679 0.727703 -0.542064
C -7.414037 -1.530715 0.746841
C -7.696072 0.266804 -0.869146
C -8.187577 -0.864782 -0.210907
H 2.834581 2.165659 -0.745466
H 0.415738 1.914711 -0.364798
H 4.481362 -2.322885 -1.383168
H 3.822789 -2.893384 0.161155
H 3.028949 -3.286320 -1.369178
H 1.301409 -3.376950 0.469979
H -0.307645 -2.819931 0.045073
H 0.791619 -3.354001 -1.232082
H 6.838568 2.163359 0.630820
H -1.231121 -1.422236 -0.054007
H -3.441166 -0.672693 -0.603796
H -7.802065 -2.412721 1.258336
H -8.302260 0.783041 -1.615547
H -9.188695 -1.235006 -0.447690


%chk=000180849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180849

0 1
S 5.039518 0.229180 -1.127475
F 6.321785 -1.256510 0.949886
F 4.973683 0.434226 1.687987
F 7.674734 1.083299 2.120294
F 8.149397 0.585750 -0.075991
F -4.695871 -2.069539 0.290434
F -6.808890 2.293775 -0.092702
O 5.261302 1.814885 -1.468728
O 5.660362 -0.929923 -2.082970
O -1.648533 1.991832 -0.157211
O -4.314605 1.961782 1.059100
N -0.932792 -0.263275 -0.097902
N -3.213950 0.211422 -0.059590
C 3.195088 -0.022920 -0.756980
C 2.646520 -1.302136 -0.491599
C 1.240198 -1.349239 -0.255544
C 5.956904 0.075508 0.745821
C 0.464068 -0.143816 -0.313177
C 2.454098 1.169444 -0.800689
C 1.070438 1.111647 -0.580354
C 3.484281 -2.570370 -0.437331
C 0.544695 -2.663758 0.064815
C 7.137757 1.058841 0.798157
C -1.894379 0.767165 -0.098967
C -4.358405 0.878479 0.434403
C -5.668820 0.162622 0.154519
C -5.845475 -1.242352 0.137646
C -6.868000 0.903084 -0.036246
C -7.073847 -1.896024 -0.017590
C -8.129380 0.306420 -0.204770
C -8.229127 -1.100747 -0.187150
H 2.953463 2.119388 -1.015536
H 0.462772 2.016823 -0.597223
H 4.516414 -2.410304 -0.781089
H 3.521183 -2.971925 0.592416
H 3.055743 -3.353712 -1.087202
H 1.254567 -3.498215 0.140621
H 0.013311 -2.618238 1.037259
H -0.191267 -2.941304 -0.717080
H 6.842838 2.078929 0.502359
H -1.268697 -1.198071 0.142115
H -3.349950 -0.739623 -0.413748
H -7.115710 -2.987818 -0.004712
H -9.004356 0.944830 -0.350445
H -9.204562 -1.579517 -0.311034


