%chk=000036121.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036121

0 1
 O   -2.671700     -0.2489000     -0.4024000    
 O   -4.556900     -4.0800001E-02   1.629700    
 C   -1.423800      6.2700003E-02  -1.023000    
 C  -0.7023000       1.122800     -0.1715000    
 C  -0.6538000      -1.253800      -1.237500    
 C   0.6810000       1.511000     -0.6993000    
 C  -0.2953000      -2.007100      5.4000001E-02
 C    1.534500       2.187600      0.3764000    
 C    1.015600      -2.803500     -3.4600001E-02
 C    3.024500       2.246700      2.9700000E-02
 C    2.296700      -1.962200     -0.1713000    
 C    3.741400      0.9186000     -0.2714000    
 C    2.545400      -1.024100       1.016000    
 C    3.774900     -0.1181000      0.8616000    
 C   -3.496800      0.9006000     -0.2993000    
 C   -4.813500      0.5085000      0.3429000    
 H   -1.627300      0.4828000      -2.017200    
 H  -0.6491000      0.7882000      0.8707000    
 H   -1.260400       2.063800     -0.1460000    
 H   0.2305000      -1.064100      -1.851000    
 H   -1.283500      -1.924600      -1.837800    
 H   0.5773000       2.175400      -1.565600    
 H    1.198300      0.6250000      -1.058200    
 H   -1.108600      -2.711700      0.2717000    
 H  -0.2563000      -1.341100      0.9184000    
 H    1.415500       1.690300       1.344200    
 H    1.166500       3.210800      0.5244000    
 H   0.9566000      -3.493500     -0.8853000    
 H    1.102300      -3.426500      0.8644000    
 H    3.547500       2.744400      0.8564000    
 H    3.149400       2.900400     -0.8433000    
 H    2.266800      -1.406400      -1.111000    
 H    3.148400      -2.649000     -0.2563000    
 H    4.786000       1.182200     -0.4885000    
 H    3.365900      0.4803000      -1.200100    
 H    2.691000      -1.640700       1.912500    
 H    1.665900     -0.4151000       1.217100    
 H    4.645600     -0.7669000      0.6991000    
 H    3.954900      0.3982000       1.812500    
 H   -3.062200       1.644800      0.3710000    
 H   -3.675000       1.339000      -1.287000    
 H   -5.329500     -0.2541000     -0.2488000    
 H   -5.470900       1.374900      0.4573000    
 H   -3.958600     -0.7982000       1.509900    


%chk=000036121-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036121

0 1
O -2.752824 -0.157857 -0.351667
O -4.781124 -0.110446 1.587847
C -1.441729 0.176943 -0.964480
C -0.680058 1.222887 -0.108323
C -0.715685 -1.175478 -1.149277
C 0.749983 1.529776 -0.617943
C -0.306395 -1.908061 0.158506
C 1.654414 2.191587 0.448260
C 0.973326 -2.778240 0.019722
C 3.154382 2.248700 0.052079
C 2.292380 -1.982741 -0.190313
C 3.844065 0.908305 -0.334047
C 2.677793 -1.072494 1.001738
C 3.935184 -0.187689 0.767404
C -3.770949 0.901058 -0.421140
C -5.028383 0.285951 0.198362
H -1.637120 0.607685 -1.975310
H -0.628593 0.846184 0.931901
H -1.266419 2.161724 -0.065037
H 0.176618 -0.998583 -1.778911
H -1.383708 -1.826136 -1.744962
H 0.708062 2.169297 -1.523618
H 1.227291 0.586216 -0.929014
H -1.146322 -2.546786 0.490127
H -0.151613 -1.176700 0.972331
H 1.546675 1.639215 1.402674
H 1.300749 3.222777 0.654114
H 0.842245 -3.485146 -0.825701
H 1.078344 -3.401135 0.932155
H 3.719894 2.705929 0.890500
H 3.265617 2.943002 -0.807621
H 2.214293 -1.378838 -1.116886
H 3.117307 -2.702161 -0.372892
H 4.879444 1.163383 -0.639469
H 3.370057 0.485853 -1.242109
H 2.866171 -1.718249 1.884939
H 1.819276 -0.432954 1.272554
H 4.778854 -0.862708 0.511634
H 4.213528 0.298861 1.725761
H -3.457734 1.790566 0.162956
H -3.948333 1.201995 -1.477737
H -5.348824 -0.585355 -0.410691
H -5.846975 1.024832 0.232957
H -3.926263 -0.616369 1.582128


