%chk=000185329.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185329

0 1
O -1.992615 -1.531558 -0.043418
O 2.592879 -1.258044 0.530047
O -0.136206 2.802167 0.536149
C -3.391475 -0.998294 -0.157338
C -0.940818 -0.708837 0.147953
C -1.081438 0.699792 0.247962
C -3.478493 0.493763 -0.048090
C -3.818744 -1.503907 -1.533108
C -4.102710 -1.704840 0.994138
C -2.405863 1.276491 0.140243
C 0.097573 1.452672 0.449506
C 0.306894 -1.344167 0.239110
C 1.437470 -0.541142 0.437426
C 1.361108 0.862658 0.546105
C 3.890547 -0.567116 0.652849
C 4.774626 -1.664632 1.224874
C 4.311837 -0.100858 -0.731556
C 0.992697 3.685149 0.752036
H -4.483861 0.894634 -0.133092
H -3.563832 -2.564583 -1.657561
H -4.895608 -1.391329 -1.689056
H -3.302263 -0.956113 -2.331796
H -5.189117 -1.596697 0.926034
H -3.865151 -2.776712 1.003231
H -3.782706 -1.299256 1.962609
H -2.478535 2.363263 0.219529
H 0.391365 -2.422889 0.158940
H 2.249851 1.452487 0.707645
H 3.770179 0.279746 1.362662
H 5.816465 -1.339909 1.309811
H 4.426965 -1.976643 2.218708
H 4.750620 -2.563830 0.592362
H 5.309089 0.350607 -0.722197
H 3.608379 0.634629 -1.143124
H 4.333267 -0.938754 -1.442739
H 1.692695 3.615389 -0.085343
H 1.472796 3.457783 1.708174
H 0.504736 4.668180 0.778714


%chk=000185329-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185329

0 1
O -2.027967 -1.504031 -0.630599
O 2.619324 -1.325991 0.400294
O -0.166498 2.789799 0.604001
C -3.429598 -1.017183 -0.307732
C -0.947606 -0.722863 -0.202611
C -1.106981 0.676262 0.024557
C -3.507858 0.497883 -0.439213
C -4.311938 -1.740761 -1.337033
C -3.743580 -1.465586 1.139451
C -2.412128 1.282725 -0.228743
C 0.049872 1.415210 0.394311
C 0.300313 -1.359726 -0.091733
C 1.428706 -0.592883 0.275700
C 1.318537 0.802173 0.525581
C 3.893419 -0.625627 0.722505
C 4.821093 -1.722212 1.255447
C 4.447771 0.073116 -0.532412
C 0.985130 3.618693 0.957201
H -4.489065 0.928397 -0.670324
H -4.173247 -2.832603 -1.257012
H -5.376947 -1.506287 -1.158032
H -4.046168 -1.427102 -2.360424
H -4.771639 -1.169597 1.418110
H -3.652569 -2.563121 1.228493
H -3.045771 -0.989814 1.850328
H -2.474258 2.374065 -0.267026
H 0.399468 -2.430979 -0.277375
H 2.189861 1.390788 0.816613
H 3.696435 0.113623 1.526976
H 5.802829 -1.294642 1.528399
H 4.383219 -2.202430 2.146820
H 4.976822 -2.497945 0.485398
H 5.381332 0.613912 -0.290053
H 3.725532 0.795435 -0.949752
H 4.671806 -0.676688 -1.311425
H 1.758938 3.595755 0.164757
H 1.430261 3.300456 1.920289
H 0.585751 4.639078 1.054669


