%chk=000012921.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012921

0 1
 O   -7.904100       2.350600     -2.2200000E-02
 O   -5.829200       3.255300     -0.2584000    
 C    2.502000      -3.683100     -7.6099999E-02
 C    1.272700      -4.104300     -7.3000002E-03
 C    2.297800      -5.098300     -7.7299997E-02
 C    3.549100      -2.700700     -0.1327000    
 C  -0.2109000      -3.964600      7.6700002E-02
 C    3.081100      -1.222600     -3.5999998E-02
 C  -0.6441000      -2.497900      6.3000001E-02
 C    4.256100     -0.2385000     -6.3900001E-02
 C   -2.161600      -2.311800      0.1600000    
 C    3.764500       1.209800      3.7000000E-03
 C   -2.602700     -0.8491000      7.2499998E-02
 C    4.896700       2.240300     -3.3300001E-02
 C   -4.126100     -0.7246000      0.1514000    
 C    4.404300       3.688600      7.8999996E-03
 C   -4.572500      0.7326000      2.6100000E-02
 C    5.576300       4.670600      4.2100001E-02
 C   -6.094600      0.8542000      7.1900003E-02
 C    5.094500       6.110400      0.1213000    
 C   -6.549500       2.283200     -8.9299999E-02
 H    2.530400      -5.630700      0.8313000    
 H    2.421100      -5.613400      -1.016800    
 H    4.257400      -2.891200      0.6827000    
 H    4.109400      -2.827300      -1.066900    
 H  -0.6660000      -4.493600     -0.7682000    
 H  -0.5620000      -4.447700      0.9954000    
 H    2.510000      -1.083800      0.8907000    
 H    2.399600      -1.006600     -0.8686000    
 H  -0.2853000      -2.022400     -0.8592000    
 H  -0.1677000      -1.964800      0.8959000    
 H    4.925900     -0.4401000      0.7805000    
 H    4.837100     -0.3861000     -0.9821000    
 H   -2.515500      -2.743000       1.104600    
 H   -2.641600      -2.880200     -0.6466000    
 H    3.181400       1.351500      0.9222000    
 H    3.083500       1.399000     -0.8355000    
 H   -2.245800     -0.4166000     -0.8700000    
 H   -2.141600     -0.2772000      0.8866000    
 H    5.492100       2.088200     -0.9422000    
 H    5.566300       2.060100      0.8170000    
 H   -4.583900      -1.317600     -0.6498000    
 H   -4.480800      -1.138200       1.103200    
 H    3.777100       3.835000      0.8955000    
 H    3.776500       3.888600     -0.8686000    
 H   -4.129100       1.327400      0.8344000    
 H   -4.197900       1.152600     -0.9158000    
 H    6.193100       4.544900     -0.8553000    
 H    6.215300       4.459200      0.9075000    
 H   -6.538600      0.2629000     -0.7368000    
 H   -6.466100      0.4814000       1.033000    
 H    5.948100       6.795100      0.1430000    
 H    4.476300       6.365200     -0.7454000    
 H    4.502500       6.276800       1.026900    
 H   -8.230000       3.270200     -0.1250000    


%chk=000012921-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012921

0 1
O -7.609074 2.761635 0.064347
O -5.459465 3.570004 -0.273109
C 2.599416 -3.903979 -0.039703
C 1.337524 -4.322810 0.031884
C 2.407393 -5.440092 -0.016026
C 3.634175 -2.831433 -0.106375
C -0.132221 -4.076616 0.104917
C 3.069290 -1.396445 0.022359
C -0.523839 -2.583262 0.007360
C 4.156639 -0.306072 -0.091627
C -2.047277 -2.346483 0.100372
C 3.596175 1.125135 0.070390
C -2.428617 -0.854447 -0.020356
C 4.671799 2.226549 -0.063374
C -3.948827 -0.597176 0.084945
C 4.109305 3.655140 0.113757
C -4.312874 0.897313 -0.047471
C 5.181803 4.759370 -0.027250
C -5.829828 1.138657 0.067967
C 4.609471 6.182168 0.153623
C -6.217966 2.597540 -0.068874
H 2.648134 -6.006454 0.898879
H 2.547852 -6.022688 -0.941634
H 4.388406 -3.010955 0.688988
H 4.190972 -2.930026 -1.063258
H -0.632615 -4.650374 -0.703901
H -0.522368 -4.506459 1.052627
H 2.547193 -1.299604 0.995721
H 2.301322 -1.237099 -0.760886
H -0.143087 -2.172937 -0.949741
H -0.011929 -2.020457 0.813450
H 4.938811 -0.481495 0.676824
H 4.663283 -0.392244 -1.075932
H -2.425230 -2.745690 1.065139
H -2.560933 -2.922455 -0.697964
H 3.102782 1.214274 1.060980
H 2.802579 1.295346 -0.687186
H -2.057095 -0.460054 -0.989112
H -1.904491 -0.278080 0.770269
H 5.158067 2.144885 -1.058210
H 5.470850 2.052176 0.687662
H -4.473314 -1.178710 -0.702318
H -4.318322 -0.985502 1.057467
H 3.628068 3.739475 1.110820
H 3.306299 3.829062 -0.633056
H -3.787414 1.482713 0.731318
H -3.951830 1.288286 -1.018053
H 5.661200 4.675901 -1.024111
H 5.984316 4.584946 0.718582
H -6.383782 0.568868 -0.704395
H -6.219979 0.774995 1.039086
H 5.396115 6.952669 0.053342
H 3.829644 6.394592 -0.602047
H 4.147233 6.298716 1.152241
H -7.832738 3.727383 -0.031650


