%chk=000039904.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039904

0 1
 I   -3.113800      -3.812200       1.053200    
 I  -0.7704000       1.519300       1.952600    
 I   -1.176400      6.0400002E-02  -3.276200    
 I    4.814500       1.253200     -0.5440000    
 I   -5.348400       1.870000      0.5665000    
 I   0.9574000       5.339200      -2.512800    
 O    2.572900      -3.711300     -0.9790000    
 O    3.680500      -2.093700       1.017300    
 O   0.6430000      -1.655000      -1.247100    
 O    4.090500       1.371500       2.591500    
 O   -4.317700     -0.8529000       2.885000    
 O  -0.9781000       4.954900      0.6429000    
 O   -6.051300      -1.639500       1.643100    
 O   -1.918100       3.577200     -0.9014000    
 N   -1.468400      -2.656500      -1.479500    
 N    2.259400      0.5495000       1.372200    
 C   0.4784000      -3.888500      -2.143000    
 C    3.270400     -0.8535000       3.033000    
 C    1.994600      -3.882600      -2.266600    
 C    4.141100      -1.895300       2.346600    
 C    3.913200      -3.247600      -1.067200    
 C    4.465800      -3.062300      0.3329000    
 C  -8.0600001E-02  -2.591700      -1.568500    
 C    3.276500      0.4948000       2.321500    
 C   -2.349600      -1.658300     -0.9998000    
 C    1.940200       1.626100      0.5110000    
 C   -3.176000      -1.913700      9.4499998E-02
 C   0.6814000       2.224300      0.5661000    
 C   -2.388300     -0.4133000      -1.627500    
 C    2.893300       2.089200     -0.3962000    
 C   -4.041000     -0.9239000      0.5612000    
 C   0.3754000       3.285400     -0.2860000    
 C   -3.253200      0.5765000      -1.160800    
 C    2.587400       3.150400      -1.248200    
 C   -4.079600      0.3211000     -6.6600002E-02
 C    1.328600       3.748400      -1.193200    
 C   -4.911800      -1.180500       1.708800    
 C  -0.9418000       3.920700     -0.2363000    
 H   2.5900001E-02  -4.059400      -3.126100    
 H   0.1734000      -4.702400      -1.473900    
 H    3.620700     -0.6917000       4.058800    
 H    2.240200      -1.222500       3.105700    
 H    2.298300      -3.069600      -2.937900    
 H    2.344200      -4.831100      -2.688200    
 H    4.092600      -2.838300       2.902600    
 H    5.181500      -1.550600       2.321700    
 H    3.925400      -2.286300      -1.593700    
 H    4.520700      -3.972900      -1.619500    
 H    4.414700      -4.011500      0.8786000    
 H    5.507700      -2.727800      0.2819000    
 H   -1.844200      -3.600700      -1.410900    
 H    1.471600     -7.0799999E-02   1.550000    
 H   -3.296900       1.539500      -1.662600    
 H    3.331200       3.511800      -1.955400    
 H   -4.904200      -1.026800       3.652000    
 H   -1.862700       5.377700      0.6740000    


%chk=000039904-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039904

0 1
I -2.088920 -3.434778 1.411184
I -0.681050 1.265582 1.820751
I -2.156463 -0.176268 -3.846568
I 4.900401 1.014334 -0.837380
I -5.403777 1.764258 0.894120
I 0.844219 5.122753 -2.752648
O 2.546700 -3.692290 -1.141252
O 3.307810 -2.285982 1.322037
O 0.512804 -1.173359 -1.732946
O 2.600253 1.513531 3.167277
O -3.376469 -0.328811 3.159581
O -1.041367 4.727829 0.532736
O -5.176244 -1.688837 2.586945
O -1.975663 3.294169 -1.038659
N -1.380118 -2.544338 -1.627099
N 2.394929 0.291614 1.178337
C 0.660764 -3.471389 -2.624712
C 2.769350 -0.934851 3.281910
C 2.180485 -3.369048 -2.525616
C 3.774395 -1.923453 2.670973
C 3.911658 -3.277122 -0.818755
C 4.104842 -3.342880 0.689153
C -0.036968 -2.286028 -1.943374
C 2.604042 0.408588 2.554929
C -2.271713 -1.587477 -1.064010
C 2.042190 1.384127 0.341073
C -2.772023 -1.752064 0.258329
C 0.764231 2.009373 0.428119
C -2.712173 -0.452069 -1.799289
C 2.936524 1.869944 -0.648729
C -3.670923 -0.827160 0.841357
C 0.395556 3.073378 -0.434598
C -3.576684 0.503860 -1.227484
C 2.595605 2.920297 -1.523185
C -4.057482 0.304321 0.080643
C 1.324977 3.516752 -1.405671
C -4.180820 -1.021713 2.245829
C -0.988334 3.670428 -0.371260
H 0.359951 -3.470573 -3.691702
H 0.327761 -4.431589 -2.186855
H 3.075139 -0.700320 4.315208
H 1.775074 -1.421882 3.322590
H 2.497668 -2.334189 -2.770122
H 2.668125 -4.078251 -3.228882
H 3.832144 -2.832849 3.305411
H 4.789068 -1.474087 2.602591
H 4.093210 -2.238168 -1.167789
H 4.648898 -3.951319 -1.311942
H 3.788227 -4.331281 1.080789
H 5.183456 -3.193228 0.915111
H -1.699050 -3.515356 -1.680886
H 2.540321 -0.649852 0.769792
H -3.868701 1.388333 -1.793583
H 3.307439 3.273135 -2.270989
H -3.734655 -0.450565 4.081902
H -1.968520 5.093220 0.564405


