%chk=000080173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080173

0 1
 O   0.3852000     -0.2291000      -1.966700    
 N   -3.223100     -0.2244000      0.2649000    
 C   -4.384700      0.6027000     -6.0400002E-02
 C   -3.573800      -1.568300     -0.1935000    
 C   -1.999500      0.2702000     -0.3483000    
 C   -5.556600     -0.2848000      0.3323000    
 C   -5.022600      -1.711400      0.2483000    
 C  -0.8097000     -0.6136000      5.9900001E-02
 C   0.5577000     -0.1587000     -0.5383000    
 C    1.735400      -1.085900     -0.1948000    
 C   0.8790000       1.282200     -0.1154000    
 C    2.956800     -0.8255000     -0.7641000    
 C    1.136100       1.531900       1.210300    
 C    1.511900      -2.131500      0.6656000    
 C   0.8956000       2.258300      -1.081400    
 C    4.025200      -1.666300     -0.4524000    
 C    1.428000       2.840700       1.594500    
 C    2.580400      -2.972200      0.9773000    
 C    1.187800       3.567100     -0.6971000    
 C    3.837100      -2.739500      0.4182000    
 C    1.453900       3.858100      0.6410000    
 H   -4.435400      0.8290000      -1.133300    
 H   -4.389400       1.545500      0.4955000    
 H   -2.965900      -2.353300      0.2664000    
 H   -3.507700      -1.660400      -1.285300    
 H   -2.089900      0.3068000      -1.441100    
 H   -1.829800       1.295500     -1.3000000E-03
 H   -6.414500     -0.1333000     -0.3306000    
 H   -5.881600     -7.0299998E-02   1.357200    
 H   -5.085300      -2.188600       1.233500    
 H   -5.599200      -2.319100     -0.4565000    
 H  -0.7673000     -0.6405000       1.156900    
 H  -0.9999000      -1.633600     -0.2969000    
 H   0.3413000      -1.166500      -2.222900    
 H    3.116300      1.7000000E-03  -1.448200    
 H    1.116300      0.7523000       1.964800    
 H   0.5616000      -2.356500       1.132000    
 H   0.6910000       2.070400      -2.129500    
 H    5.003400      -1.486200     -0.8887000    
 H    1.634300       3.067600       2.636400    
 H    2.435200      -3.807600       1.656100    
 H    1.207200       4.360000      -1.439000    
 H    4.669000      -3.394100      0.6609000    
 H    1.680800       4.877200      0.9402000    


%chk=000080173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080173

0 1
O 0.487460 -0.227172 -2.037400
N -3.241182 -0.308679 0.192479
C -4.376020 0.640873 0.049458
C -3.743640 -1.587976 -0.377555
C -1.972699 0.184248 -0.387152
C -5.594719 -0.196349 0.498745
C -5.232203 -1.659210 0.072944
C -0.777865 -0.688141 0.043095
C 0.582377 -0.218986 -0.548591
C 1.759827 -1.133742 -0.141457
C 0.870977 1.242389 -0.155109
C 3.007686 -0.941629 -0.794203
C 1.188305 1.551469 1.191641
C 1.657769 -2.150061 0.840191
C 0.797118 2.290058 -1.103616
C 4.121302 -1.745111 -0.476399
C 1.423151 2.886331 1.585738
C 2.775139 -2.957161 1.161241
C 1.037963 3.626876 -0.709698
C 4.009490 -2.759283 0.505519
C 1.348878 3.931605 0.634777
H -4.506342 0.975344 -1.013273
H -4.209654 1.539580 0.669710
H -3.150219 -2.445268 -0.013220
H -3.679075 -1.581179 -1.497523
H -2.018019 0.231419 -1.504705
H -1.812735 1.216437 -0.024959
H -6.532926 0.160512 0.039071
H -5.707227 -0.135675 1.594843
H -5.360249 -2.353999 0.920395
H -5.872759 -2.019466 -0.751210
H -0.734182 -0.674347 1.148167
H -0.947263 -1.739709 -0.264713
H 0.447509 -1.174082 -2.326737
H 3.089790 -0.152796 -1.549719
H 1.268656 0.745077 1.930712
H 0.711691 -2.324538 1.362085
H 0.558313 2.044891 -2.141677
H 5.076295 -1.581353 -0.988561
H 1.670715 3.110381 2.629634
H 2.678569 -3.738938 1.923352
H 0.981121 4.429631 -1.454041
H 4.874157 -3.384265 0.755714
H 1.535318 4.967996 0.938508


