%chk=000182116.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182116

0 1
O -0.854972 2.576541 -0.726585
O 0.075523 -2.822129 0.265918
O -3.661061 1.170902 0.925505
O -2.203487 -3.342030 0.004668
O 1.817484 -1.386532 -1.279712
O -1.729483 2.595862 -2.720685
O 4.667762 -1.332220 -0.348184
C -1.256159 0.693399 0.888029
C -0.196913 -0.283359 0.272430
C 1.275070 -0.002027 0.661152
C -2.656555 0.446874 0.196356
C -0.828207 2.161053 0.669969
C -0.725914 -1.675092 0.629697
C 1.606054 1.501847 0.400981
C -3.153264 -1.037329 0.329533
C -2.019855 -1.919049 -0.193146
C 0.614366 2.437010 1.103225
C -1.440689 0.519006 2.404140
C -2.651795 0.927422 -1.262199
C 3.072840 1.849155 0.780734
C 1.604908 -0.483738 2.072374
C 2.209334 -0.737451 -0.341405
C -4.464866 -1.293286 -0.402520
C -1.754068 2.068517 -1.634972
C -0.863476 -3.903436 0.007539
C 4.045616 0.778914 0.360909
C 3.662602 -0.424404 -0.102526
C 3.487796 3.187425 0.155775
C 4.305052 -2.554780 -1.043135
H -0.228230 -0.163993 -0.847136
H -1.535845 2.859871 1.174828
H -0.898435 -1.781231 1.728561
H 1.487604 1.681134 -0.704442
H -3.329828 -1.234115 1.419416
H -1.859780 -1.773721 -1.287144
H 0.696972 2.354029 2.203583
H 0.868034 3.490821 0.850716
H -1.729723 -0.508019 2.670539
H -0.513889 0.738403 2.955178
H -2.240065 1.168165 2.788272
H -3.698052 1.190116 -1.556470
H -2.406962 0.079267 -1.948413
H 3.140054 1.940252 1.897147
H 1.435311 -1.565839 2.170328
H 2.651895 -0.303148 2.346491
H 0.982549 0.022584 2.823445
H -5.236131 -0.580842 -0.077605
H -4.375209 -1.222499 -1.490983
H -4.830934 -2.306830 -0.181638
H -3.604825 2.133101 0.765922
H -0.615383 -4.297184 -0.987223
H -0.833473 -4.623478 0.834753
H 5.102082 1.023159 0.466322
H 3.512309 3.130024 -0.940199
H 2.796066 3.994111 0.423350
H 4.488590 3.489009 0.484990
H 5.280292 -3.041113 -1.156605
H 3.851652 -2.323016 -2.013716
H 3.624612 -3.150283 -0.428131


%chk=000182116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182116

0 1
O -0.825130 2.595746 -0.765390
O 0.071556 -2.896838 0.457398
O -3.696739 1.305118 0.825195
O -2.265536 -3.385950 0.233542
O 1.703014 -1.327343 -1.414513
O -1.931288 2.745680 -2.750646
O 4.604133 -1.150122 -0.982436
C -1.280056 0.705539 0.912670
C -0.198326 -0.306007 0.340825
C 1.302386 -0.013016 0.669212
C -2.664832 0.464304 0.162312
C -0.829167 2.167898 0.679757
C -0.743971 -1.690478 0.739013
C 1.621473 1.523136 0.465092
C -3.176495 -1.018721 0.319935
C -2.024957 -1.954151 -0.059594
C 0.600080 2.440429 1.169189
C -1.532886 0.608770 2.450670
C -2.569574 0.872987 -1.327162
C 3.101267 1.847790 0.823527
C 1.733970 -0.560714 2.059232
C 2.176396 -0.670489 -0.445130
C -4.463826 -1.316086 -0.473959
C -1.793751 2.148603 -1.664507
C -0.915717 -3.959125 0.105091
C 4.045882 0.813223 0.239962
C 3.640563 -0.357639 -0.343709
C 3.524030 3.266763 0.352943
C 4.344779 -2.602365 -1.097949
H -0.243737 -0.249370 -0.765344
H -1.544001 2.847537 1.182612
H -0.973920 -1.716389 1.819909
H 1.512293 1.726568 -0.622551
H -3.405694 -1.161022 1.393363
H -1.787044 -1.865577 -1.144596
H 0.639060 2.322105 2.268170
H 0.834306 3.496576 0.948603
H -2.055042 -0.314063 2.744714
H -0.596216 0.654055 3.025160
H -2.182251 1.442209 2.765854
H -3.580877 0.983901 -1.757164
H -2.087547 0.076335 -1.924662
H 3.209732 1.825075 1.932482
H 1.452022 -1.623725 2.150081
H 2.825186 -0.497469 2.198045
H 1.258895 -0.006704 2.886411
H -5.250546 -0.586382 -0.217153
H -4.297368 -1.292444 -1.566847
H -4.827138 -2.326443 -0.220382
H -3.887187 2.104990 0.274131
H -0.709667 -4.262216 -0.940670
H -0.845955 -4.805918 0.808053
H 5.119291 1.045239 0.232009
H 3.374915 3.377221 -0.736450
H 2.945967 4.057311 0.862916
H 4.592962 3.445063 0.569805
H 5.274725 -3.014329 -1.517857
H 3.491949 -2.795629 -1.767685
H 4.150509 -3.047649 -0.103525


