%chk=000085278.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085278

0 1
 O   -5.516200      0.2169000     -6.6000000E-03
 O    5.521300     -0.2095000     -6.7199998E-02
 O   -4.389600      -1.796000      3.4600001E-02
 O    4.395700       1.801000      3.9200000E-02
 C  -0.6534000      0.4015000     -0.1031000    
 C   0.6390000     -0.4153000     -0.1634000    
 C   -1.884300     -0.5057000     -8.7200001E-02
 C    1.871700      0.4936000     -0.1339000    
 C   -3.176000      0.3096000     -6.1000001E-02
 C    3.180000     -0.2966000     -0.1593000    
 C   -4.401700     -0.5734000     -6.0999999E-03
 C    4.407700      0.5817000     -5.9700001E-02
 C   -7.896800      0.5387000      3.7999999E-02
 C    7.899800     -0.5369000      2.8300000E-02
 C   -6.765500     -0.4796000      4.5699999E-02
 C    6.768900      0.4816000      5.3399999E-02
 C   -9.263500     -0.1367000      0.1083000    
 C    9.264000      0.1321000      0.1691000    
 C   -10.38860      0.8849000      0.1438000    
 C    10.38760     -0.8919000      0.1869000    
 H  -0.7017000       1.074200     -0.9680000    
 H  -0.6511000       1.029900      0.7958000    
 H   0.6760000      -1.107600      0.6865000    
 H   0.6516000      -1.022000      -1.076800    
 H   -1.844100      -1.164900      0.7890000    
 H   -1.878000      -1.155800     -0.9711000    
 H    1.842200       1.117700      0.7683000    
 H    1.844000       1.181000     -0.9887000    
 H   -3.185800      0.9595000      0.8211000    
 H   -3.239500      0.9292000     -0.9626000    
 H    3.198900     -0.9960000      0.6844000    
 H    3.244000     -0.8669000      -1.092900    
 H   -7.769200       1.226600      0.8832000    
 H   -7.824100       1.157600     -0.8650000    
 H    7.748400      -1.264500      0.8356000    
 H    7.852200      -1.111700     -0.9051000    
 H   -6.847800      -1.141000     -0.8248000    
 H   -6.805200      -1.080500      0.9617000    
 H    6.875800       1.183900     -0.7816000    
 H    6.783200       1.037800      0.9981000    
 H   -9.322900     -0.7656000       1.004200    
 H   -9.399200     -0.7936000     -0.7588000    
 H    9.298600      0.7172000       1.095500    
 H    9.424000      0.8296000     -0.6613000    
 H   -10.37730       1.512200     -0.7532000    
 H   -11.35820      0.3795000      0.1926000    
 H   -10.30050       1.535600       1.019700    
 H    10.40100      -1.475400     -0.7392000    
 H    11.35550     -0.3909000      0.2869000    
 H    10.27480      -1.583800       1.027700    


%chk=000085278-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085278

0 1
O -5.616836 0.208383 0.004041
O 5.615037 -0.205770 -0.000679
O -4.499221 -1.822084 0.246007
O 4.499193 1.806880 0.366300
C -0.662048 0.397776 0.089589
C 0.661119 -0.399993 0.085446
C -1.910154 -0.511190 0.081208
C 1.909454 0.508577 0.100148
C -3.220573 0.298829 0.088715
C 3.219583 -0.302135 0.096468
C -4.463905 -0.575749 0.122911
C 4.463006 0.569829 0.170940
C -8.026776 0.520484 -0.092144
C 8.024534 -0.517349 -0.102174
C -6.919004 -0.524196 0.043009
C 6.918118 0.521918 0.078776
C -9.432684 -0.125269 -0.059062
C 9.431671 0.122544 -0.030240
C -10.561515 0.919309 -0.192843
C 10.558668 -0.918393 -0.202899
H -0.684900 1.071428 -0.792554
H -0.687392 1.055597 0.983594
H 0.682254 -1.073966 0.967450
H 0.688085 -1.057543 -0.808645
H -1.892294 -1.185508 0.958568
H -1.889760 -1.169420 -0.808907
H 1.888901 1.165006 0.990841
H 1.892423 1.184456 -0.776817
H -3.257040 0.973513 0.967630
H -3.287089 0.961750 -0.795524
H 3.246017 -1.000796 0.957091
H 3.295392 -0.940076 -0.804915
H -7.933736 1.258304 0.727969
H -7.891057 1.075448 -1.040404
H 7.925571 -1.294046 0.680476
H 7.892677 -1.025122 -1.077053
H -6.932730 -1.259873 -0.782822
H -6.981086 -1.079917 0.997483
H 6.936279 1.296340 -0.710746
H 6.977568 1.030883 1.059114
H -9.559289 -0.687228 0.888543
H -9.517587 -0.869120 -0.877149
H 9.552835 0.640892 0.942626
H 9.524335 0.902200 -0.813349
H -10.476897 1.474513 -1.145761
H -11.557494 0.441121 -0.166854
H -10.518077 1.656808 0.630367
H 10.477869 -1.431614 -1.179398
H 11.555706 -0.444564 -0.150801
H 10.508549 -1.690569 0.587430


