%chk=000037693.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037693

0 1
 O   9.8899998E-02   2.279300     -0.6870000    
 N    1.078300      0.2950000      0.1290000    
 N    4.673900       1.262300      0.1545000    
 C   -1.067700      0.1110000     -0.8964000    
 C  -0.5466000      -1.223000     -0.3955000    
 C   8.7499999E-02   1.071900     -0.4895000    
 C   0.7094000      -1.054900      0.1905000    
 C   -2.329300      0.5200000     -0.2050000    
 C   -1.248400      0.1280000      -2.411500    
 C    2.325200      0.7996000      0.6543000    
 C   -1.135600      -2.476200     -0.4600000    
 C    3.432900      0.7226000     -0.3860000    
 C    1.410900      -2.120400      0.7285000    
 C   -2.266000       1.280100      0.9604000    
 C   -3.562200      0.1397000     -0.7298000    
 C  -0.4413000      -3.561900      7.8599997E-02
 C   0.8216000      -3.385100      0.6681000    
 C   -3.442600       1.661900       1.605100    
 C   -4.738700      0.5216000     -8.5000001E-02
 C   -4.678900       1.282700       1.082400    
 C    5.083600      0.5195000       1.348100    
 C    5.735000       1.226400     -0.8538000    
 H   -1.867700     -0.6941000      -2.786700    
 H   -1.678800       1.074400      -2.761700    
 H  -0.2776000      2.5500000E-02  -2.914600    
 H    2.166400       1.848700      0.9351000    
 H    2.538900      0.2530000       1.576600    
 H   -2.108200      -2.622600     -0.9167000    
 H    3.564700     -0.3137000     -0.7249000    
 H    3.129600       1.303500      -1.266800    
 H    2.388300      -2.002500       1.182100    
 H   -1.331600       1.574200       1.427600    
 H   -3.655400     -0.4701000      -1.622100    
 H  -0.8807000      -4.555100      4.0600002E-02
 H    1.345400      -4.243800       1.079800    
 H   -3.396600       2.247800       2.518500    
 H   -5.701600      0.2219000     -0.4884000    
 H   -5.594900       1.577300       1.586100    
 H    5.091300     -0.5646000       1.185900    
 H    4.454300      0.7535000       2.212000    
 H    6.095300      0.8153000       1.652200    
 H    6.650500       1.687900     -0.4671000    
 H    5.444600       1.803700      -1.738700    
 H    5.970000      0.2037000      -1.170400    


%chk=000037693-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037693

0 1
O 0.107183 2.066997 -1.064081
N 1.042639 0.261134 0.137763
N 4.707714 1.248281 -0.072680
C -1.137276 -0.127285 -0.803368
C -0.574875 -1.380775 -0.139779
C 0.039374 0.891747 -0.616597
C 0.709347 -1.094381 0.398211
C -2.407526 0.450581 -0.132615
C -1.367869 -0.346929 -2.329047
C 2.299187 0.924146 0.509604
C -1.096686 -2.678624 -0.037231
C 3.427445 0.660751 -0.521089
C 1.477447 -2.072618 1.057934
C -3.031484 -0.172260 0.977304
C -2.964608 1.657650 -0.634953
C -0.338303 -3.682569 0.622098
C 0.930468 -3.375915 1.167119
C -4.195918 0.383585 1.556619
C -4.125565 2.212001 -0.056065
C -4.752051 1.574339 1.040121
C 5.406278 0.424110 0.933549
C 5.596667 1.630131 -1.188925
H -2.213371 -1.038523 -2.488736
H -1.596744 0.611357 -2.824040
H -0.466651 -0.775696 -2.802184
H 2.108752 2.009089 0.553123
H 2.594678 0.585279 1.518978
H -2.078786 -2.918209 -0.460217
H 3.511121 -0.438669 -0.716823
H 3.132141 1.139055 -1.471975
H 2.467233 -1.847403 1.467919
H -2.608598 -1.089017 1.399353
H -2.467430 2.181921 -1.457340
H -0.737420 -4.698562 0.709246
H 1.505810 -4.157918 1.675302
H -4.663919 -0.114606 2.413510
H -4.536634 3.145902 -0.455914
H -5.654545 2.004290 1.489064
H 5.744052 -0.565435 0.530740
H 4.751418 0.233746 1.801950
H 6.295759 0.965245 1.302133
H 6.480258 2.161456 -0.791181
H 5.064952 2.317916 -1.869235
H 5.962438 0.758687 -1.789164


