%chk=000039595.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039595

0 1
 O   0.5955000     -0.3721000      -1.290200    
 N    2.949300     -1.3200000E-02  0.1037000    
 N  -0.5828000     -0.2441000      0.7365000    
 C    4.163100     -0.2266000      0.8912000    
 C    1.785500     -0.5600000      0.8001000    
 C    5.387700      0.2580000      0.1191000    
 C   -1.921100     -5.9300002E-02  0.3152000    
 C   0.5493000     -0.3814000     -6.4300001E-02
 C    2.760000       1.411300     -0.1676000    
 C   -2.406400       1.227100      0.1322000    
 C   -2.724800      -1.167400      9.3000002E-02
 C    5.530300     -0.4718000      -1.207700    
 C   -3.725600       1.409500     -0.2824000    
 C   -4.044100     -0.9851000     -0.3217000    
 C   -1.553800       2.432000      0.3672000    
 C   -2.217800      -2.560100      0.2850000    
 C   -4.544500      0.3033000     -0.5093000    
 H    4.112200      0.2902000       1.858200    
 H    4.284400      -1.296400       1.104500    
 H    1.904500      -1.637800      0.9636000    
 H    1.648300     -7.7600002E-02   1.776200    
 H    5.400700       1.342100     -2.9100001E-02
 H    6.275400      3.6800001E-02  0.7255000    
 H    1.822500       1.640300     -0.6828000    
 H    3.526000       1.801000     -0.8449000    
 H    2.774800       2.008600      0.7523000    
 H  -0.4876000     -0.4577000       1.727000    
 H    5.533600      -1.557400      -1.065000    
 H    4.728100     -0.2169000      -1.906800    
 H    6.477400     -0.1958000      -1.683000    
 H   -4.131600       2.406100     -0.4346000    
 H   -4.695900      -1.835400     -0.5041000    
 H  -0.7492000       2.479100     -0.3738000    
 H   -2.129900       3.360400      0.2887000    
 H   -1.119300       2.408500       1.372200    
 H   -1.424800      -2.780600     -0.4371000    
 H   -3.008300      -3.305100      0.1427000    
 H   -1.830000      -2.692700       1.300600    
 H   -5.571500      0.4452000     -0.8326000    


%chk=000039595-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039595

0 1
O 0.566697 0.308387 -1.259559
N 3.015514 0.202155 0.338105
N -0.611954 -0.290422 0.677596
C 4.281188 -0.445170 0.756665
C 1.826069 -0.571514 0.691534
C 5.523646 0.090660 0.009017
C -1.965150 -0.107583 0.218477
C 0.555164 -0.120569 -0.074698
C 2.907917 1.625771 0.702991
C -2.398409 1.148225 -0.297421
C -2.862823 -1.209639 0.349876
C 5.429250 -0.095915 -1.519359
C -3.748669 1.263096 -0.715234
C -4.204896 -1.045012 -0.063308
C -1.475637 2.346261 -0.376402
C -2.384448 -2.539461 0.907446
C -4.647242 0.182110 -0.604048
H 4.449151 -0.346463 1.862091
H 4.186865 -1.528184 0.541122
H 2.005805 -1.630939 0.419738
H 1.604539 -0.555201 1.796594
H 5.679897 1.160658 0.249682
H 6.410528 -0.442792 0.406447
H 2.003630 2.056282 0.240206
H 3.774070 2.183637 0.311056
H 2.859571 1.791695 1.810339
H -0.495138 -0.720699 1.599679
H 5.388105 -1.169847 -1.783387
H 4.509122 0.374732 -1.906470
H 6.301805 0.347397 -2.033496
H -4.094746 2.221976 -1.118465
H -4.899864 -1.887874 0.028595
H -0.758854 2.229307 -1.209165
H -2.050890 3.275880 -0.525425
H -0.875293 2.451220 0.547031
H -1.488226 -2.902281 0.370451
H -3.171608 -3.306348 0.816152
H -2.117867 -2.474762 1.982382
H -5.687218 0.296226 -0.929134


