%chk=000041850.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041850

0 1
 O    1.269700     -0.3296000      -2.290700    
 N    3.444100     -0.5914000     -0.4232000    
 N   -4.232100      0.6252000      0.6125000    
 N   -2.576700       3.776400      0.1420000    
 N   -4.264900      -2.966100      0.5991000    
 C    4.441000     -2.8999999E-02  0.4938000    
 C    2.101900     -0.2178000     -1.0300000E-02
 C    1.054300     -0.8064000     -0.9631000    
 C    5.835800     -0.4408000      1.1200000E-02
 C    4.309500       1.497600      0.4808000    
 C    4.192400     -0.5675000       1.907700    
 C  -0.3496000     -0.4263000     -0.5462000    
 C   -1.269600      -1.425700     -0.2803000    
 C  -0.6838000      0.9128000     -0.4383000    
 C   -2.563600      -1.075500      0.1052000    
 C   -1.977700       1.263100     -5.2600000E-02
 C   -2.917700      0.2690000      0.2193000    
 C   -2.308900       2.652700      5.4900002E-02
 C   -3.504200      -2.120700      0.3783000    
 H    3.526200      -1.607700     -0.4463000    
 H    1.854600     -0.5739000      0.9946000    
 H    1.991800      0.8684000     -3.2800000E-02
 H    1.154600      -1.898800     -0.9928000    
 H    6.029600     -7.7000000E-02  -1.004800    
 H    6.617100     -3.2400001E-02  0.6623000    
 H    5.950500      -1.531100      2.7999999E-03
 H    3.441200       1.869700       1.034900    
 H    4.270200       1.894700     -0.5407000    
 H    5.183800       1.954400      0.9619000    
 H    4.083500      -1.658500       1.913800    
 H    5.045500     -0.3313000       2.556100    
 H    3.316900     -0.1282000       2.397100    
 H  -0.9892000      -2.472600     -0.3697000    
 H   3.9299998E-02   1.691500     -0.6669000    
 H    2.187600     -0.5436000      -2.530500    
 H   -4.498700       1.596600      0.6962000    
 H   -4.921100     -8.7700002E-02  0.8098000    


%chk=000041850-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041850

0 1
O 1.602781 0.312242 -1.961141
N 3.406920 -0.710527 -0.309094
N -4.313862 0.708457 0.538577
N -3.098552 3.775170 -0.774159
N -4.137860 -2.749937 1.397126
C 4.477246 -0.094908 0.557053
C 2.010355 -0.754338 0.190332
C 1.062727 -0.692473 -1.057867
C 5.817691 -0.338763 -0.177662
C 4.226083 1.428034 0.677885
C 4.522405 -0.747594 1.967683
C -0.362469 -0.334642 -0.670719
C -1.218162 -1.298300 -0.096403
C -0.847993 0.978529 -0.852091
C -2.533923 -0.966380 0.315397
C -2.158038 1.338155 -0.453290
C -3.037037 0.370192 0.147536
C -2.646883 2.673585 -0.641845
C -3.391528 -1.954357 0.901340
H 3.713192 -1.636511 -0.644201
H 1.773438 -1.644651 0.810544
H 1.827928 0.143877 0.804404
H 1.066363 -1.692746 -1.550408
H 5.793285 0.107927 -1.187451
H 6.654572 0.111543 0.384128
H 6.025893 -1.421823 -0.280097
H 3.283577 1.656039 1.207334
H 4.178405 1.892659 -0.322718
H 5.046538 1.901347 1.246500
H 4.726078 -1.832719 1.894102
H 5.318189 -0.292157 2.585197
H 3.564179 -0.611350 2.501640
H -0.879193 -2.332509 0.034455
H -0.192212 1.712764 -1.328199
H 2.597431 0.258991 -1.767634
H -4.663066 1.655925 0.403220
H -4.931201 0.013750 0.955622


