%chk=000183196.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183196

0 1
O -2.183306 -1.344533 2.133649
C -2.620823 -0.490677 -0.078739
C -1.279782 0.217886 -0.066959
C -1.249349 1.631044 -0.093436
C -0.024983 2.322972 -0.053202
C -2.857343 -1.156462 -1.446867
C -2.543884 2.399055 -0.219427
C -0.072720 -0.513971 -0.048554
C 0.032526 3.828903 0.016831
C 1.169486 0.183501 -0.031630
C 1.192063 1.603808 -0.028428
C -2.459269 3.842441 0.282939
C -1.266617 4.540054 -0.372452
C -4.148528 -1.978368 -1.468094
C -2.821463 -1.432928 1.110714
C -4.121046 -3.050130 -0.373174
C -3.968195 -2.423064 1.011957
C 2.416946 -0.553584 -0.012646
C -0.029268 -1.969246 -0.050171
C 2.483659 2.272585 -0.004492
C 2.413015 -1.975841 -0.014201
C 3.661374 0.134781 0.011306
C 1.134703 -2.660160 -0.034767
C 3.649712 1.585068 0.013939
C 3.627896 -2.679240 0.005880
C 4.862906 -0.592644 0.031232
C 4.841015 -1.988160 0.028407
H -3.445772 0.272903 0.069395
H -1.995842 -1.801982 -1.713426
H -2.886597 -0.372211 -2.228735
H -2.839466 2.396217 -1.291641
H -3.362085 1.873230 0.324177
H 0.303587 4.105921 1.060771
H 0.856105 4.210243 -0.623770
H -3.398569 4.380296 0.059074
H -2.350422 3.855035 1.385463
H -1.221191 5.602384 -0.068691
H -1.384137 4.540330 -1.473636
H -4.274893 -2.453071 -2.460240
H -5.027881 -1.319636 -1.335569
H -3.289852 -3.759437 -0.558683
H -5.047175 -3.656183 -0.407833
H -3.829629 -3.213375 1.779980
H -4.901418 -1.898579 1.304963
H -0.975541 -2.511406 -0.060785
H 2.491206 3.363742 -0.006627
H 1.145408 -3.749378 -0.031075
H 4.610254 2.098284 0.031582
H 3.623270 -3.767384 0.006682
H 5.814316 -0.064963 0.050536
H 5.778198 -2.543170 0.045277


%chk=000183196-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183196

0 1
O -2.341480 -1.402093 2.191206
C -2.606391 -0.541715 -0.101681
C -1.269377 0.197320 0.002788
C -1.249240 1.628054 0.016786
C -0.016443 2.337418 -0.050112
C -2.799058 -1.216751 -1.503678
C -2.574530 2.396857 0.117751
C -0.040797 -0.535990 0.009678
C 0.023710 3.865398 -0.131045
C 1.215563 0.176100 -0.008442
C 1.220922 1.616943 -0.049541
C -2.419414 3.894753 0.450329
C -1.336527 4.517174 -0.445000
C -4.129932 -1.992201 -1.606692
C -2.945394 -1.469228 1.089037
C -4.234872 -3.055007 -0.491846
C -4.153794 -2.396179 0.907652
C 2.462558 -0.548210 0.002692
C 0.009388 -1.986193 0.052719
C 2.502039 2.296426 -0.068458
C 2.470459 -1.989825 0.037052
C 3.720027 0.158615 -0.019998
C 1.202774 -2.680366 0.066628
C 3.697103 1.601505 -0.052833
C 3.708545 -2.686766 0.048230
C 4.938934 -0.573665 -0.008725
C 4.931674 -1.983407 0.025266
H -3.426328 0.203760 -0.043263
H -1.955130 -1.899032 -1.711465
H -2.751858 -0.422518 -2.272711
H -3.133130 2.302334 -0.838500
H -3.208818 1.930394 0.896069
H 0.403124 4.270674 0.831156
H 0.757823 4.171993 -0.900382
H -3.392329 4.404960 0.319720
H -2.127897 4.016047 1.512845
H -1.269809 5.610781 -0.292744
H -1.600250 4.351543 -1.509150
H -4.203671 -2.471510 -2.601607
H -4.984717 -1.288478 -1.525733
H -3.413181 -3.790557 -0.605646
H -5.182290 -3.619893 -0.577613
H -4.135372 -3.141551 1.722138
H -5.062527 -1.774280 1.061028
H -0.922823 -2.552756 0.108914
H 2.525739 3.389348 -0.082668
H 1.204516 -3.775726 0.113387
H 4.651941 2.140768 -0.062429
H 3.703419 -3.782760 0.076825
H 5.889272 -0.027201 -0.026166
H 5.878450 -2.534410 0.035035


