%chk=000216331.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216331

0 1
O 3.007866 -2.223882 -0.361462
O -2.744200 0.033706 0.289628
O 4.313638 0.779367 0.269444
O 0.138548 3.400332 0.599649
O 5.125324 -2.138345 0.352052
O 5.277391 -0.084848 2.587709
O -4.228607 -0.633919 -1.275085
C 0.416790 1.396902 -0.802176
C -0.539187 0.175103 -0.680287
C 2.083338 -0.134703 0.513151
C 1.837201 1.163102 -0.264531
C -0.262815 -0.922022 -1.725299
C 1.755098 -1.451366 -0.252271
C -1.962509 0.783186 -0.695950
C 1.227814 -1.328128 -1.675834
C -0.352376 2.483350 -0.002814
C 3.580226 -0.257475 0.899324
C -1.838182 2.197482 -0.112179
C 0.497421 1.947804 -2.236226
C -1.173502 -2.134014 -1.512975
C 4.049687 -1.606818 0.285907
C 3.867151 -0.239699 2.416754
C -3.886128 -0.627342 -0.117301
C -4.518619 -1.280426 1.100677
C -5.944413 -0.726269 1.281682
C -4.517302 -2.793497 0.887652
C -5.944502 0.743051 1.687852
H -0.425847 -0.274864 0.341437
H 1.460754 -0.108679 1.440612
H 2.130676 2.024337 0.382818
H 2.572395 1.213405 -1.101551
H -0.469129 -0.515341 -2.747820
H 1.107717 -2.117462 0.361795
H -2.469410 0.739668 -1.679615
H 1.378775 -2.299134 -2.195206
H 1.841995 -0.606049 -2.250759
H -2.324729 2.258627 0.884590
H -2.346941 2.962071 -0.725486
H -0.490965 2.115462 -2.677563
H 1.038272 2.904095 -2.263035
H 1.035349 1.260422 -2.901207
H -1.127665 -2.517882 -0.489350
H -2.222847 -1.884459 -1.726707
H -0.904492 -2.958730 -2.183711
H 3.503476 -1.139924 2.938275
H 3.450800 0.670412 2.895383
H 5.174244 0.932398 0.767865
H 5.749677 -0.912461 2.299196
H -3.906529 -1.031032 2.007158
H -6.522680 -0.862326 0.343615
H -6.470681 -1.329027 2.048968
H -3.499970 -3.187982 0.776320
H -4.976239 -3.312491 1.738319
H -5.081245 -3.078946 -0.011856
H -5.404516 0.909271 2.627469
H -6.968164 1.110909 1.831613
H -5.479131 1.378978 0.924840


%chk=000216331-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216331

0 1
O 3.125271 -2.302078 0.289455
O -2.812302 -0.422315 0.071257
O 4.539511 0.553045 -0.250928
O 0.083612 3.293642 0.577430
O 5.209066 -2.072222 1.281494
O 5.727205 0.593959 2.215398
O -4.648966 0.521115 -1.013809
C 0.410485 1.250281 -0.817335
C -0.466823 -0.038292 -0.618746
C 2.264246 -0.001017 0.582414
C 1.898505 1.150582 -0.383944
C -0.089723 -1.236638 -1.531711
C 1.894891 -1.448995 0.078857
C -1.918405 0.500740 -0.692301
C 1.432977 -1.573750 -1.379488
C -0.395194 2.291733 -0.002340
C 3.791615 -0.055233 0.859411
C -1.875652 1.892349 -0.016222
C 0.360893 1.774314 -2.292209
C -0.947510 -2.495990 -1.254264
C 4.146751 -1.561495 0.858184
C 4.257363 0.597335 2.181436
C -4.187037 -0.308374 -0.196119
C -4.997375 -1.317378 0.608574
C -6.110658 -0.586829 1.409910
C -5.601746 -2.367427 -0.362878
C -5.570450 0.391432 2.474230
H -0.340358 -0.358617 0.438254
H 1.752728 0.160314 1.553280
H 2.170283 2.110830 0.096402
H 2.544869 1.070167 -1.271679
H -0.262536 -0.941059 -2.586363
H 1.149966 -1.918156 0.746239
H -2.303721 0.560645 -1.725752
H 1.606343 -2.614865 -1.707585
H 2.054948 -0.925947 -2.021389
H -2.234905 1.824862 1.028203
H -2.499715 2.649460 -0.520971
H -0.667490 1.966292 -2.648400
H 0.927445 2.719251 -2.365959
H 0.828343 1.044356 -2.976118
H -0.819063 -2.855576 -0.215811
H -2.022530 -2.298947 -1.398588
H -0.651234 -3.314230 -1.935939
H 3.827667 0.070413 3.057257
H 3.961837 1.659302 2.208554
H 5.437582 0.778421 0.128093
H 6.020279 -0.362431 2.210608
H -4.307866 -1.821023 1.310802
H -6.759791 -0.046452 0.694405
H -6.736855 -1.359212 1.897522
H -4.815089 -2.915313 -0.913011
H -6.197063 -3.104150 0.205270
H -6.263060 -1.876608 -1.098630
H -4.914547 -0.125338 3.199516
H -6.399812 0.854385 3.038521
H -4.989102 1.210631 2.011010


