%chk=000160461.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160461

0 1
 O  -0.5498000       2.211100      0.1613000    
 O  -0.2154000      -2.516700      0.4113000    
 O    4.479500      0.4137000      0.9523000    
 O   -4.202400     -0.5530000     -0.6335000    
 N   -2.429700      0.8739000     -0.1219000    
 N   -2.190400      -1.477700     -9.0999998E-02
 C  -0.3147000     -0.1205000      0.6945000    
 C    1.058600     -4.4900000E-02  8.9599997E-02
 C    1.122600     -0.1718000      -1.411200    
 C    2.514400     -0.5522000      -1.909200    
 C   -1.085000       1.099400      0.2062000    
 C  -0.2596000     -4.7600001E-02   2.226300    
 C  -0.8697000      -1.477200      0.3153000    
 C    3.588300      0.3133000      -1.271400    
 C    2.147900      0.1277000      0.8540000    
 C    3.490200      0.2702000      0.2362000    
 C   -3.027300     -0.3872000     -0.2940000    
 C   -3.257500       2.039600     -0.4148000    
 H   0.4225000     -0.9235000      -1.790100    
 H   0.8300000      0.7848000      -1.861800    
 H    2.706400      -1.606200      -1.668300    
 H    2.558000     -0.4614000      -3.000300    
 H   0.1327000      0.9083000       2.594400    
 H   -1.274200     -0.1308000       2.639100    
 H   0.3109000     -0.8716000       2.672200    
 H    3.495900       1.356400      -1.592800    
 H    4.575500     -5.5799998E-02  -1.569100    
 H    2.145800      0.2106000       1.932800    
 H   -2.596900      -2.389800     -0.2810000    
 H   -2.878000       2.932100      9.0599999E-02
 H   -4.291400       1.864600     -0.1029000    
 H   -3.239000       2.205600      -1.496500    


%chk=000160461-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160461

0 1
O -0.638993 2.224915 0.016843
O -0.229801 -2.569020 0.341950
O 4.612488 0.322854 1.027321
O -4.347463 -0.579280 -0.413606
N -2.513957 0.857048 -0.115394
N -2.264555 -1.517106 0.017550
C -0.296878 -0.119701 0.649177
C 1.120795 -0.026761 0.056892
C 1.214373 -0.050979 -1.461954
C 2.598669 -0.532985 -1.949071
C -1.136596 1.075711 0.130295
C -0.337525 -0.014408 2.212126
C -0.890781 -1.502236 0.305423
C 3.729876 0.258522 -1.256957
C 2.238560 0.081867 0.833151
C 3.604483 0.216220 0.266190
C -3.124799 -0.417405 -0.174209
C -3.374106 2.027939 -0.423066
H 0.421773 -0.699463 -1.884567
H 1.015830 0.974037 -1.840617
H 2.707797 -1.610023 -1.719012
H 2.673166 -0.420730 -3.046415
H 0.091062 0.950380 2.530081
H -1.375860 -0.077550 2.582183
H 0.241055 -0.841175 2.656285
H 3.685315 1.325324 -1.562984
H 4.731314 -0.112673 -1.535920
H 2.194553 0.095340 1.926826
H -2.706099 -2.435444 -0.101352
H -2.922227 2.916790 0.039281
H -4.382192 1.839163 -0.026937
H -3.441078 2.184229 -1.513214


