%chk=000287470.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287470

0 1
O 2.553213 -0.442943 -0.028513
C -4.840530 -0.402329 0.020382
C -6.119951 0.442640 0.086207
C -3.584196 0.477543 0.072973
C -7.376162 -0.437396 0.033550
C -2.305698 -0.368603 0.006894
C -8.655970 0.407049 0.099222
C -1.049030 0.510922 0.059739
C -9.911794 -0.473154 0.046747
C 0.223419 -0.339541 -0.006769
C -11.193006 0.370172 0.112129
C 1.472225 0.538362 0.046012
C -12.446174 -0.501033 0.060308
C 3.852506 0.006120 -0.005554
C 4.792898 -1.007733 -0.081487
C 6.174388 -0.675749 -0.067095
C 6.568186 0.688621 0.024797
C 4.227249 1.379909 0.087056
C 5.563094 1.700438 0.100942
C 7.189102 -1.687766 -0.143346
C 7.962237 1.014239 0.038701
C 8.515269 -1.342964 -0.127701
C 8.909967 0.026187 -0.035475
H -4.837525 -1.008454 -0.906157
H -4.826668 -1.129241 0.855413
H -6.123993 1.048437 1.012829
H -6.134813 1.169301 -0.748885
H -3.599430 1.204146 -0.762256
H -3.588455 1.083141 0.999808
H -7.362088 -1.164197 0.868572
H -7.372829 -1.043482 -0.892917
H -2.302904 -0.974907 -0.919863
H -2.292102 -1.096172 0.841730
H -8.670641 1.133558 -0.735973
H -8.659781 1.013017 1.025708
H -1.053964 1.115135 0.988076
H -1.064895 1.236801 -0.776774
H -9.898922 -1.200143 0.881374
H -9.909625 -1.079929 -0.879050
H 0.251121 -1.073117 0.824917
H 0.240246 -0.952033 -0.931527
H -11.208364 1.096583 -0.723846
H -11.197607 0.976233 1.039184
H 1.553699 1.219135 -0.817349
H 1.565040 1.094143 0.993614
H -12.492033 -1.087595 -0.864291
H -13.354974 0.109205 0.107015
H -12.481752 -1.207166 0.897656
H 4.475530 -2.044921 -0.151236
H 3.471205 2.155485 0.145297
H 5.876676 2.742905 0.171039
H 6.878795 -2.728712 -0.213409
H 8.251682 2.061797 0.109357
H 9.291424 -2.105173 -0.185196
H 9.971206 0.264231 -0.025580


%chk=000287470-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287470

0 1
O 2.658180 -0.623685 -0.017736
C -4.903018 -0.425439 0.044536
C -6.187466 0.433195 0.075448
C -3.603932 0.411078 0.074643
C -7.484335 -0.406893 0.047827
C -2.323708 -0.453126 0.036196
C -8.771052 0.448701 0.077036
C -1.021617 0.378571 0.073635
C -10.066801 -0.393184 0.048986
C 0.247193 -0.502888 0.017029
C -11.354540 0.461696 0.080514
C 1.532290 0.325903 0.069748
C -12.643253 -0.388528 0.050368
C 3.966496 -0.113919 0.003198
C 4.995145 -1.058860 -0.101282
C 6.363169 -0.650873 -0.090631
C 6.684493 0.759765 0.031150
C 4.274568 1.282773 0.123235
C 5.608119 1.697446 0.136268
C 7.440707 -1.595832 -0.198597
C 8.059854 1.166542 0.041507
C 8.769501 -1.168731 -0.186477
C 9.084892 0.224370 -0.065081
H -4.908865 -1.059620 -0.866736
H -4.908795 -1.123461 0.907833
H -6.182081 1.068801 0.985785
H -6.183827 1.129651 -0.789194
H -3.599754 1.112121 -0.786231
H -3.595067 1.041220 0.988703
H -7.488080 -1.102831 0.912890
H -7.488781 -1.043535 -0.861796
H -2.331305 -1.078652 -0.880621
H -2.331392 -1.158192 0.893289
H -8.767969 1.144764 -0.788003
H -8.767458 1.085026 0.986957
H -1.009279 0.994748 0.997131
H -1.019506 1.090749 -0.778008
H -10.070608 -1.090424 0.913079
H -10.072562 -1.028505 -0.861617
H 0.249077 -1.218618 0.861323
H 0.248819 -1.103222 -0.912910
H -11.349433 1.159065 -0.782122
H -11.348286 1.094884 0.991351
H 1.578568 1.039918 -0.779398
H 1.596160 0.897530 1.019573
H -12.688376 -1.006155 -0.866638
H -13.549165 0.244823 0.076339
H -12.684948 -1.074479 0.917608
H 4.732821 -2.118035 -0.192836
H 3.475180 2.024846 0.204568
H 5.842199 2.764841 0.228929
H 7.202411 -2.662121 -0.291827
H 8.295542 2.233831 0.134928
H 9.581583 -1.899732 -0.270212
H 10.132795 0.543684 -0.056658


