%chk=000198333.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198333

0 1
O 0.354760 2.534912 2.077304
O 0.111617 2.175873 -1.005964
O 2.781547 -0.846686 0.725414
O 2.166044 0.774153 -2.182697
O -2.149037 0.073277 2.393788
O -0.600395 -1.774117 -1.125728
O -3.941933 -0.099790 0.582923
O 2.728198 -2.835944 -0.362257
O -0.901173 -3.848443 -0.277790
C 0.562948 0.154313 0.975874
C 1.020579 1.618053 1.175075
C -0.852177 0.195559 0.288139
C 1.321158 2.083849 -0.251937
C 1.653618 -0.339842 -0.045154
C 1.741146 2.157991 2.373997
C 2.209380 0.919156 -0.777178
C -0.756065 0.994666 -1.045306
C -1.893686 0.870021 1.240773
C 0.569828 -0.672984 2.247249
C -1.387916 -1.216014 -0.033250
C -3.259761 1.177520 0.573508
C -2.033054 1.600999 -1.549610
C -3.163889 1.692771 -0.842060
C 3.236922 -2.124570 0.470939
C -4.413558 2.298084 -1.391227
C -0.408297 -3.153463 -1.131679
C 4.389155 -2.405574 1.368478
C 0.443575 -3.508660 -2.290817
H 1.746949 3.098352 -0.360678
H 1.292819 -1.121423 -0.750092
H 1.858217 1.554468 3.271769
H 2.454500 2.972475 2.278197
H 3.291117 1.063007 -0.556715
H -0.311270 0.325294 -1.830251
H -1.469511 1.813823 1.676393
H 1.569134 -0.718004 2.696900
H -0.126951 -0.257548 2.997064
H 0.251043 -1.707565 2.061786
H -2.430900 -1.184947 -0.413494
H -1.333878 -1.889270 0.845042
H -3.835087 1.877320 1.224692
H -1.953242 2.006689 -2.560438
H 1.278259 1.037590 -2.537191
H -2.792231 -0.653600 2.189399
H -4.275617 2.699516 -2.406086
H -4.763896 3.135284 -0.769891
H -5.226856 1.562085 -1.452601
H -4.885344 0.013625 0.355164
H 4.182512 -3.282916 2.003544
H 4.628600 -1.558876 2.031142
H 5.292427 -2.639136 0.781255
H 1.508583 -3.559487 -1.970230
H 0.396989 -2.768841 -3.103145
H 0.179702 -4.496727 -2.694646


%chk=000198333-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198333

0 1
O 0.403407 2.472102 2.398047
O 0.058761 2.361856 -0.820696
O 2.958469 -0.729932 0.658010
O 2.215339 1.218137 -2.127715
O -2.181819 0.216409 2.446527
O -0.542508 -1.823363 -1.076730
O -4.099320 0.008650 0.698672
O 2.580127 -2.857701 -0.231996
O -1.506638 -3.873063 -0.528736
C 0.629030 0.175088 1.026565
C 1.049552 1.635068 1.335961
C -0.812005 0.228127 0.307279
C 1.305442 2.246991 -0.032445
C 1.761928 -0.169202 -0.043632
C 1.853821 2.071108 2.518930
C 2.239504 1.182755 -0.670087
C -0.674555 1.048284 -1.013624
C -1.884965 0.947250 1.211439
C 0.658785 -0.776559 2.234779
C -1.369354 -1.179846 -0.018891
C -3.241087 1.227317 0.492801
C -1.975885 1.450377 -1.652707
C -3.153983 1.548950 -0.985741
C 3.260580 -2.082483 0.476110
C -4.446355 1.958235 -1.660153
C -0.705994 -3.213894 -1.227689
C 4.510226 -2.462049 1.241143
C 0.218584 -3.742592 -2.296246
H 1.716894 3.267427 -0.014370
H 1.423559 -0.897853 -0.795852
H 2.063798 1.363043 3.327066
H 2.567501 2.898414 2.409114
H 3.284768 1.353842 -0.357281
H -0.089049 0.441056 -1.730773
H -1.474298 1.918424 1.523587
H 1.637709 -0.730034 2.739539
H -0.140062 -0.514123 2.945387
H 0.510136 -1.823484 1.918290
H -2.403414 -1.118338 -0.394488
H -1.376682 -1.827488 0.872291
H -3.725378 2.069030 1.030498
H -1.932999 1.710594 -2.718003
H 1.461177 1.810905 -2.395889
H -2.991345 -0.333400 2.241934
H -4.276745 2.277346 -2.702108
H -4.930753 2.796472 -1.121011
H -5.168997 1.119274 -1.680374
H -5.043151 0.281659 0.803298
H 4.264214 -3.253677 1.970264
H 4.940575 -1.596417 1.764283
H 5.252573 -2.882395 0.540969
H 1.249182 -3.729349 -1.899338
H 0.193739 -3.098626 -3.190911
H -0.066439 -4.772027 -2.557599


