%chk=000108051.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108051

0 1
 O   -4.402000       2.592200      0.1875000    
 N   0.4548000     -0.1619000      0.7204000    
 N   -1.309400      -2.952800     -0.5657000    
 C   0.3232000      -1.424200       1.465300    
 C  -0.7660000      0.5460000      0.5719000    
 C    1.766100      0.2654000      0.3734000    
 C  -0.2254000       1.035700      -1.841000    
 C    1.047700       1.827600      -1.591200    
 C   -1.131900       1.138100     -0.6484000    
 C    2.055400       1.197100     -0.6533000    
 C   0.8317000      -2.599700      0.6313000    
 C   0.1293000      -2.774400     -0.7188000    
 C   -1.663200      0.6688000       1.655200    
 C    2.875300     -0.2191000       1.117800    
 C   -2.354500       1.822900     -0.7677000    
 C    3.392700       1.616700     -0.8645000    
 C   -3.221000       1.928700      0.3164000    
 C   -2.874500       1.351800       1.530300    
 C    4.189300      0.1918000      0.8800000    
 C    4.449000       1.117500     -0.1120000    
 C   -1.600400      -4.174700      0.1866000    
 C   -1.966300      -2.993600      -1.873500    
 H   0.8248000      -1.372800       2.438700    
 H  -0.7193000      -1.655700       1.717300    
 H  -2.1700000E-02 -6.0000001E-03  -2.096300    
 H  -0.7290000       1.460500      -2.719000    
 H   0.8131000       2.833600      -1.218400    
 H    1.528600       1.956700      -2.570600    
 H   0.7558000      -3.514700       1.230600    
 H    1.903300      -2.511000      0.4252000    
 H   0.5730000      -3.637900      -1.233400    
 H   0.3482000      -1.911800      -1.350200    
 H   -1.415000      0.2565000       2.631400    
 H    2.754100     -0.9132000       1.944900    
 H   -2.627400       2.275500      -1.718700    
 H    3.616500       2.345300      -1.642200    
 H   -3.537300       1.431500       2.387600    
 H    5.000100     -0.2045000       1.484000    
 H    5.463700       1.452800     -0.3010000    
 H   -1.124100      -5.058900     -0.2525000    
 H   -2.681700      -4.356200      0.2111000    
 H   -1.301400      -4.093300       1.235700    
 H   -1.617400      -3.833300      -2.485600    
 H   -1.784000      -2.064500      -2.424900    
 H   -3.052500      -3.078100      -1.756700    
 H   -4.478000       2.927400     -0.7224000    


%chk=000108051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108051

0 1
O -4.321928 2.934901 0.247434
N 0.437958 -0.163858 0.543475
N -1.350819 -3.433728 -0.419435
C 0.267483 -1.456452 1.264085
C -0.739571 0.664646 0.448307
C 1.760832 0.356099 0.350438
C -0.153096 1.177061 -1.954700
C 1.160433 1.949671 -1.678575
C -1.091469 1.293323 -0.776575
C 2.107273 1.335790 -0.643508
C 0.867764 -2.657744 0.496719
C 0.032378 -3.012691 -0.753230
C -1.599251 0.811149 1.570131
C 2.809120 -0.142178 1.187167
C -2.275599 2.063425 -0.850403
C 3.454044 1.778333 -0.715163
C -3.124085 2.191753 0.273038
C -2.787447 1.560490 1.490501
C 4.136134 0.312751 1.086021
C 4.472409 1.294159 0.129111
C -1.426288 -4.802188 0.128183
C -2.297355 -3.232225 -1.534797
H 0.671176 -1.412285 2.298022
H -0.816610 -1.644894 1.340758
H 0.087375 0.114114 -2.152321
H -0.628786 1.587853 -2.864243
H 0.891218 2.981206 -1.371700
H 1.724864 2.048667 -2.626407
H 0.914770 -3.524296 1.185390
H 1.907056 -2.444624 0.185454
H 0.568547 -3.794247 -1.350180
H -0.033440 -2.110270 -1.389775
H -1.327455 0.343535 2.522061
H 2.576826 -0.885390 1.953731
H -2.536689 2.550971 -1.800215
H 3.704912 2.524467 -1.480734
H -3.448916 1.676878 2.353747
H 4.898544 -0.095244 1.759526
H 5.498868 1.663116 0.033705
H -1.111019 -5.587147 -0.606892
H -2.463930 -5.021162 0.438220
H -0.783102 -4.896108 1.020149
H -2.069796 -3.859596 -2.434546
H -2.287751 -2.171368 -1.842594
H -3.321601 -3.479495 -1.201054
H -4.461680 3.340631 -0.643726


