%chk=000039645.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039645

0 1
 O   4.5299999E-02  -2.907900      3.1000001E-03
 N   0.8474000       2.939300      0.1510000    
 N   0.9894000     -0.7833000      0.4204000    
 C    1.117700       1.565900     -0.2553000    
 C   0.7363000      0.5987000      0.8581000    
 C    1.601700       3.278100       1.359400    
 C    1.175900       3.871200     -0.9296000    
 C  -6.6699997E-02  -1.727900      0.3567000    
 C    2.333900      -1.184100      5.0200000E-02
 C   -1.412300      -1.301500      0.7299000    
 C   -2.318600     -0.7680000     -0.2010000    
 C    1.278500       4.685300       1.831900    
 C   0.4038000       3.538400      -2.195000    
 C   -3.607000     -0.3760000      0.2341000    
 C   -1.771000      -1.446100       2.070500    
 C    2.474200      -2.166400     -0.8914000    
 C    3.382800     -0.5559000      0.6636000    
 C   -1.974700     -0.6153000      -1.554100    
 C   -3.951200     -0.5291000       1.587100    
 C   -3.038100      -1.060900       2.498200    
 C   -4.513500      0.1573000     -0.6966000    
 C    3.766600      -2.551500      -1.247700    
 C    4.675200     -0.9410000      0.3071000    
 C   -2.887800     -8.3200000E-02  -2.464900    
 C   -4.154700      0.3024000      -2.037000    
 C    4.867100      -1.938800     -0.6486000    
 H    2.165100       1.462100     -0.5591000    
 H   0.5092000       1.284500      -1.121500    
 H  -0.3092000      0.7667000       1.124400    
 H    1.292900      0.7221000       1.789400    
 H    1.316200       2.641200       2.200200    
 H    2.683900       3.171700       1.213100    
 H   0.8793000       4.890500     -0.6623000    
 H    2.251400       3.884500      -1.147400    
 H    1.746200       5.453800       1.209000    
 H   0.1982000       4.864100       1.867800    
 H    1.666300       4.830100       2.846800    
 H   0.8069000       2.663300      -2.714300    
 H  -0.6607000       3.376200      -1.992900    
 H   0.4766000       4.375900      -2.898300    
 H   -1.070200      -1.858200       2.792400    
 H    1.663700      -2.610900      -1.454300    
 H    3.278500      0.2084000       1.423900    
 H  -0.9963000     -0.9043000      -1.930600    
 H   -4.936000     -0.2344000       1.943700    
 H   -3.316800      -1.173600       3.541900    
 H   -5.509200      0.4654000     -0.3844000    
 H    3.917300      -3.313600      -2.006900    
 H    5.532500     -0.4665000      0.7758000    
 H   -2.609200      3.0400001E-02  -3.508600    
 H   -4.864900      0.7167000      -2.746600    
 H    5.873400      -2.235800     -0.9290000    


%chk=000039645-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039645

0 1
O 0.156601 -2.830725 -0.301431
N 0.983815 2.950585 0.146628
N 1.099302 -0.842603 0.526505
C 0.998955 1.539157 -0.302802
C 0.911125 0.585179 0.916400
C 2.346094 3.478637 0.427564
C 0.159443 3.847054 -0.706613
C 0.015178 -1.670880 0.196108
C 2.463598 -1.302415 0.342449
C -1.375456 -1.140875 0.492619
C -2.227179 -0.694160 -0.582484
C 2.352609 4.620778 1.461732
C -1.353764 3.628790 -0.517942
C -3.577066 -0.263848 -0.271323
C -1.867503 -1.189847 1.802936
C 2.862026 -1.964994 -0.845997
C 3.417519 -1.076960 1.367223
C -1.789081 -0.651924 -1.949361
C -4.041346 -0.323035 1.083922
C -3.204952 -0.786428 2.100711
C -4.422323 0.205366 -1.331759
C 4.199899 -2.385694 -1.003791
C 4.755968 -1.493632 1.198941
C -2.636747 -0.192980 -2.959578
C -3.963875 0.244685 -2.649498
C 5.154848 -2.149317 0.011880
H 1.912265 1.296500 -0.896403
H 0.130943 1.350183 -0.958598
H -0.065149 0.716742 1.403916
H 1.685649 0.862252 1.650678
H 2.955608 2.643132 0.822026
H 2.853163 3.815642 -0.512170
H 0.401175 4.888651 -0.426981
H 0.425967 3.739923 -1.788690
H 1.782701 5.499909 1.110353
H 1.898641 4.279244 2.408398
H 3.388274 4.953295 1.662658
H -1.665703 2.606518 -0.799138
H -1.630804 3.790207 0.538560
H -1.926275 4.335327 -1.147771
H -1.219365 -1.548499 2.610608
H 2.125870 -2.166426 -1.626805
H 3.112405 -0.600525 2.305324
H -0.785264 -1.013067 -2.198105
H -5.065776 -0.002851 1.308202
H -3.565491 -0.840616 3.133406
H -5.441150 0.530399 -1.088634
H 4.495597 -2.900024 -1.924920
H 5.481407 -1.316571 2.000791
H -2.290865 -0.174383 -3.998868
H -4.618294 0.602359 -3.451943
H 6.192085 -2.477232 -0.116633


