%chk=000183502.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183502

0 1
O -1.799135 1.177607 0.999411
O -3.068516 -0.475416 1.866149
O 3.961539 -0.093792 0.624563
C -5.404834 1.157151 0.783373
C -3.973617 1.076510 0.148924
C -3.908119 0.343902 -1.224304
C -6.314624 1.957997 -0.167873
C -6.002581 -0.234170 1.025190
C -5.299387 1.906754 2.126315
C -2.981309 0.457665 1.103242
C -2.855984 1.017523 -2.114823
C -3.608128 -1.152393 -1.100230
C -0.654401 0.744782 1.783718
C 0.347829 0.070686 0.885891
C 1.709539 0.322759 1.089597
C -0.060940 -0.815790 -0.121764
C 2.635360 -0.338866 0.270277
C 0.886213 -1.456372 -0.924422
C 2.252644 -1.229282 -0.738689
C 4.962243 -0.141839 -0.348810
C 4.783532 0.313055 -1.659463
C 6.200207 -0.590184 0.136180
C 5.892576 0.311632 -2.510506
C 7.290028 -0.574722 -0.734534
C 7.138915 -0.130119 -2.054613
H -3.649901 2.141068 -0.027843
H -4.912174 0.461474 -1.710734
H -7.336919 2.014622 0.221307
H -5.961601 2.984788 -0.304241
H -6.369802 1.491460 -1.159418
H -6.960727 -0.172434 1.550706
H -6.176729 -0.775810 0.090597
H -5.332385 -0.850537 1.644891
H -4.740942 1.325862 2.870849
H -6.291405 2.091168 2.553007
H -4.807542 2.878033 2.021160
H -2.717229 0.471644 -3.053782
H -3.137061 2.043839 -2.372034
H -1.877242 1.063758 -1.615125
H -4.239716 -1.638963 -0.346271
H -2.561044 -1.339685 -0.805068
H -3.771539 -1.668823 -2.051471
H -0.284121 1.695371 2.212337
H -0.986399 0.063730 2.597116
H 2.064539 1.005773 1.857897
H -1.130053 -1.006043 -0.278703
H 0.558436 -2.147440 -1.701692
H 2.993613 -1.740103 -1.348113
H 3.815016 0.669957 -2.001275
H 6.290526 -0.930425 1.165234
H 5.781937 0.662591 -3.536505
H 8.264590 -0.914676 -0.384011
H 7.995026 -0.126476 -2.725612


%chk=000183502-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183502

0 1
O -1.744761 1.035124 1.634763
O -3.125946 -0.841243 1.561891
O 3.670409 0.268606 0.428439
C -5.268328 1.076564 0.493740
C -3.711358 1.215273 0.266345
C -3.215812 1.001169 -1.224645
C -5.973015 2.255355 -0.236017
C -5.843235 -0.266049 -0.028801
C -5.576803 1.207449 2.012665
C -2.889323 0.337959 1.205219
C -2.087412 2.004177 -1.567960
C -2.759825 -0.443572 -1.552219
C -0.790668 0.280742 2.527145
C 0.271064 -0.436987 1.721973
C 1.476178 0.225340 1.388308
C 0.068751 -1.776146 1.297131
C 2.463310 -0.444801 0.635792
C 1.069394 -2.437313 0.551556
C 2.275938 -1.782840 0.216959
C 4.451237 0.068347 -0.739694
C 3.881424 -0.163277 -2.013840
C 5.846518 0.216397 -0.580929
C 4.733291 -0.259783 -3.136792
C 6.684236 0.122014 -1.713698
C 6.133913 -0.120635 -2.994491
H -3.455191 2.259422 0.533422
H -4.083990 1.232060 -1.873032
H -7.065692 2.195832 -0.076105
H -5.626270 3.231856 0.152923
H -5.797376 2.239551 -1.327043
H -6.925811 -0.319393 0.193755
H -5.725576 -0.361280 -1.123908
H -5.344634 -1.122689 0.455267
H -5.184706 0.345067 2.579038
H -6.669911 1.250968 2.175129
H -5.136190 2.132693 2.432092
H -1.738101 1.859362 -2.607573
H -2.432732 3.050088 -1.466658
H -1.223316 1.865600 -0.892595
H -3.509571 -1.198065 -1.262105
H -1.815675 -0.693914 -1.033236
H -2.576828 -0.537042 -2.638994
H -0.362748 1.076982 3.156029
H -1.383150 -0.423614 3.135836
H 1.662655 1.257485 1.703273
H -0.870152 -2.281388 1.545809
H 0.918134 -3.475044 0.235155
H 3.058468 -2.303928 -0.343070
H 2.796696 -0.253431 -2.128317
H 6.249874 0.405097 0.418433
H 4.296752 -0.435677 -4.126274
H 7.767214 0.235850 -1.593725
H 6.786851 -0.195516 -3.870365


