%chk=000085889.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085889

0 1
 O    1.986600       2.500000     -0.2492000    
 N   -3.332300     -0.6261000     -0.3615000    
 C   -1.116500      0.3352000      8.5000001E-02
 C    1.064100      -1.168300     -5.1199999E-02
 C  -0.4424000     -0.9848000     -0.3743000    
 C  -0.2238000       1.544500     -0.2569000    
 C    1.847700      0.1161000     -0.3860000    
 C    1.224800       1.380800      0.2011000    
 C   -2.454100      0.4817000     -0.6759000    
 C   -1.460100      0.3210000       1.585700    
 C    1.298500      -1.581900       1.413200    
 C    1.607500      -2.318200     -0.9300000    
 H  -0.5470000      -1.042400      -1.468100    
 H  -0.9868000      -1.852800      2.0400001E-02
 H  -0.6390000       2.465700      0.1732000    
 H  -0.2258000       1.714600      -1.343100    
 H    1.914800      0.2372000      -1.476800    
 H    2.889100      2.8800000E-02 -4.8099998E-02
 H    1.282800       1.374400       1.293500    
 H   -2.290000      0.5216000      -1.759500    
 H   -2.948300       1.420300     -0.3970000    
 H  -0.5833000      0.4773000       2.216600    
 H   -2.158100       1.128100       1.839300    
 H   -1.916800     -0.6250000       1.896800    
 H   0.6814000      -2.446200       1.683100    
 H    2.345800      -1.863200       1.576300    
 H    1.081300     -0.7820000       2.121600    
 H    1.080500      -3.256500     -0.7224000    
 H    1.486500      -2.097800      -1.996700    
 H    2.675300      -2.485900     -0.7487000    
 H    2.897800       2.382300      6.9700003E-02
 H   -2.980400      -1.486700     -0.7776000    
 H   -4.242900     -0.4676000     -0.7915000    


%chk=000085889-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085889

0 1
O 1.929083 2.605117 -0.255655
N -3.385847 -0.660703 -0.497671
C -1.118776 0.319015 0.102667
C 1.100218 -1.189989 -0.030668
C -0.418993 -1.000765 -0.357085
C -0.223859 1.536936 -0.265612
C 1.868730 0.118125 -0.389235
C 1.226196 1.385985 0.207067
C -2.453473 0.462412 -0.705603
C -1.482884 0.317067 1.609620
C 1.359338 -1.589140 1.450183
C 1.636908 -2.344560 -0.921736
H -0.508947 -1.046121 -1.465584
H -0.982228 -1.866310 0.045335
H -0.649533 2.467194 0.157473
H -0.194856 1.664427 -1.368247
H 1.888650 0.246179 -1.491281
H 2.923638 0.028148 -0.051476
H 1.267695 1.346574 1.317001
H -2.186810 0.610738 -1.780145
H -2.958516 1.389761 -0.371269
H -0.609487 0.179448 2.267143
H -1.960277 1.277366 1.886656
H -2.207659 -0.491984 1.808928
H 0.717424 -2.440666 1.744050
H 2.414148 -1.899472 1.580290
H 1.168602 -0.765571 2.158141
H 1.111810 -3.292836 -0.696886
H 1.491715 -2.121411 -1.995679
H 2.718204 -2.508136 -0.750638
H 2.887375 2.526893 -0.013141
H -3.173384 -1.503063 -1.037060
H -4.377304 -0.416457 -0.528883


