%chk=000096754.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096754

0 1
 O    2.571000      -3.221000      -1.010600    
 O   -2.568200      -3.223100       1.010600    
 N    2.855600     -0.8399000     -0.6054000    
 N   -2.854900     -0.8423000      0.6051000    
 C   0.6629000      -1.903500     -0.2434000    
 C  -0.6613000      -1.904000      0.2431000    
 C    1.406800     -0.6189000     -0.5265000    
 C   -1.406300     -0.6201000      0.5259000    
 C    1.294300      -3.129600     -0.5138000    
 C   -1.291600      -3.130700      0.5139000    
 C    3.109700      -1.977200      -1.491300    
 C   -3.107800      -1.979700       1.491200    
 C    3.539000      0.3614000      -1.079000    
 C   -3.539100      0.3586000       1.079100    
 C   0.6483000      -4.339300     -0.2568000    
 C  -0.6444000      -4.339800      0.2572000    
 C    3.308300       1.535300     -0.1649000    
 C   -3.309600       1.532600      0.1650000    
 C    2.224900       2.373500     -0.3885000    
 C   -2.226700       2.371700      0.3883000    
 C    4.182700       1.762700      0.8887000    
 C   -4.184500       1.759500     -0.8883000    
 C    2.011300       3.461000      0.4589000    
 C   -2.014200       3.459300     -0.4590000    
 C    3.969200       2.850200       1.735900    
 C   -3.972100       2.847200      -1.735400    
 C    2.883300       3.699300       1.521300    
 C   -2.886700       3.697000      -1.521200    
 H    1.009100     -0.1989000      -1.459600    
 H    1.190500      5.6800000E-02  0.3065000    
 H   -1.008800     -0.1995000       1.458800    
 H   -1.190800      5.5500001E-02 -0.3072000    
 H    2.730100      -1.805100      -2.508100    
 H    4.190300      -2.140100      -1.576500    
 H   -2.728300      -1.807000       2.507900    
 H   -4.188200      -2.143500       1.576600    
 H    3.228600      0.6246000      -2.100100    
 H    4.619700      0.1747000      -1.139100    
 H   -3.228600      0.6218000       2.100100    
 H   -4.619600      0.1709000       1.139500    
 H    1.146700      -5.284200     -0.4562000    
 H   -1.141900      -5.285100      0.4569000    
 H    1.544500       2.210800      -1.219500    
 H   -1.546000       2.209500       1.219200    
 H    5.030200       1.106800       1.066600    
 H   -5.031600       1.103000      -1.066000    
 H    1.172400       4.128100      0.2887000    
 H   -1.175800       4.127000     -0.2892000    
 H    4.648200       3.035800       2.563000    
 H   -4.651500       3.032300      -2.562300    
 H    2.718100       4.546800       2.179900    
 H   -2.722200       4.544700      -2.179900    


%chk=000096754-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096754

0 1
O 2.502288 -2.945579 -1.292837
O -2.499709 -2.947637 1.292891
N 2.756999 -0.570513 -0.990826
N -2.756461 -0.572806 0.990781
C 0.639615 -1.632026 -0.311141
C -0.638196 -1.632555 0.311046
C 1.351126 -0.319042 -0.619145
C -1.350834 -0.320162 0.618971
C 1.250418 -2.869881 -0.636972
C -1.247917 -2.870913 0.636995
C 2.878503 -1.671899 -1.934642
C -2.876957 -1.674245 1.934659
C 3.559253 0.632550 -1.270959
C -3.559703 0.629591 1.270949
C 0.626221 -4.098449 -0.321319
C -0.622651 -4.098963 0.321454
C 3.825322 1.472849 -0.021101
C -3.826565 1.469663 0.021109
C 3.881575 2.885153 -0.105827
C -3.883823 2.881929 0.105807
C 4.065853 0.847823 1.228163
C -4.066833 0.844433 -1.228104
C 4.184805 3.663555 1.035364
C -4.187778 3.660084 -1.035360
C 4.364063 1.623055 2.370190
C -4.365769 1.619421 -2.370107
C 4.428030 3.034015 2.277581
C -4.430735 3.030337 -2.277524
H 0.804493 0.238148 -1.426643
H 1.342800 0.336253 0.272089
H -0.804627 0.237580 1.426375
H -1.343140 0.335057 -0.272326
H 2.216886 -1.556791 -2.830352
H 3.925888 -1.792944 -2.251175
H -2.215369 -1.558530 2.830313
H -3.924214 -1.796164 2.251282
H 3.089656 1.285179 -2.049217
H 4.528417 0.290942 -1.688010
H -3.090592 1.282619 2.049166
H -4.528550 0.287179 1.688077
H 1.131195 -5.031581 -0.586971
H -1.126807 -5.032510 0.587201
H 3.686212 3.379363 -1.066344
H -3.688669 3.376304 1.066281
H 4.003202 -0.244874 1.286370
H -4.003414 -0.248221 -1.286293
H 4.225316 4.755964 0.956393
H -4.229058 4.752465 -0.956411
H 4.548061 1.128928 3.331143
H -4.549558 1.125137 -3.331019
H 4.660495 3.635239 3.163882
H -4.663764 3.631371 -3.163806


