%chk=000037003.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037003

0 1
 O   0.9022000     -0.3728000       2.844200    
 O   -5.136500       1.524000     -0.9684000    
 N    1.858100     -0.7460000      0.7206000    
 N   -2.820200      0.5495000      0.3683000    
 C  -0.1088000      -1.963900       1.259500    
 C   -1.497100      -1.326500       1.213800    
 C   0.4034000      -2.291300     -0.1215000    
 C   0.9243000     -0.9218000       1.751500    
 C   -1.487600     -5.0400000E-02  0.3810000    
 C    1.556700      -1.550600     -0.3856000    
 C  -8.2699999E-02  -3.184800       2.178800    
 C    2.995300      0.1423000      0.7676000    
 C  -0.1036000      -3.168600      -1.066500    
 C   -3.797800     -0.3638000     -0.2397000    
 C   -2.809400       1.829100     -0.3542000    
 C    2.234800      -1.658900      -1.587800    
 C   -5.177300      0.2884000     -0.2535000    
 C   -4.212300       2.429600     -0.3641000    
 C   0.5680000      -3.290600      -2.285400    
 C    1.727800      -2.541500      -2.543900    
 C    2.655500       1.516000      0.2534000    
 C    2.813900       1.799000      -1.096100    
 C    2.189100       2.480100       1.135900    
 C    2.499600       3.071800      -1.572600    
 C    1.874700       3.752800      0.6596000    
 C    2.029900       4.048700     -0.6947000    
 H   -1.835400      -1.093400       2.232500    
 H   -2.181300      -2.079700      0.8115000    
 H   -1.157000     -0.2395000     -0.6471000    
 H  -0.7962000      0.6781000      0.8191000    
 H  -0.3826000      -2.917600       3.198400    
 H  -0.7594000      -3.970200       1.824000    
 H   0.9231000      -3.617700       2.241200    
 H    3.846900     -0.2881000      0.2282000    
 H    3.319500      0.2228000       1.813400    
 H  -0.9987000      -3.749500     -0.8726000    
 H   -3.917900      -1.289700      0.3274000    
 H   -3.501000     -0.6186000      -1.265300    
 H   -2.469600       1.680300      -1.387500    
 H   -2.124900       2.535100      0.1300000    
 H    3.147400      -1.118000      -1.799700    
 H   -5.552300      0.4657000      0.7620000    
 H   -5.894200     -0.3650000     -0.7614000    
 H   -4.218300       3.352700     -0.9525000    
 H   -4.552900       2.679400      0.6481000    
 H   0.1910000      -3.973200      -3.042300    
 H    2.238900      -2.656900      -3.495900    
 H    3.199800       1.065900      -1.794100    
 H    2.063900       2.261900       2.192600    
 H    2.625600       3.304100      -2.626100    
 H    1.508800       4.513500       1.343100    
 H    1.786200       5.040000      -1.065300    


%chk=000037003-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037003

0 1
O 0.942703 -0.303016 2.845663
O -5.502621 1.651652 -0.619668
N 1.898970 -0.733917 0.725877
N -3.062620 0.453685 0.424381
C -0.092012 -1.964524 1.251200
C -1.527078 -1.351460 1.254498
C 0.429953 -2.304241 -0.142195
C 0.939624 -0.909344 1.738912
C -1.679026 -0.084157 0.387726
C 1.605297 -1.547543 -0.402892
C -0.045961 -3.183950 2.214147
C 3.042372 0.186009 0.861898
C -0.050920 -3.199149 -1.108254
C -4.015816 -0.328385 -0.405812
C -3.119211 1.888194 0.037296
C 2.310895 -1.659411 -1.614873
C -5.439146 0.230315 -0.241498
C -4.551824 2.419966 0.202613
C 0.647940 -3.331614 -2.338134
C 1.812974 -2.567923 -2.583239
C 2.841895 1.523800 0.152265
C 3.667584 1.908851 -0.930851
C 1.822749 2.408516 0.591298
C 3.477987 3.154698 -1.573302
C 1.630640 3.651189 -0.049254
C 2.456717 4.027655 -1.135499
H -1.794808 -1.096369 2.296426
H -2.226998 -2.139805 0.914768
H -1.346079 -0.291833 -0.659633
H -1.010085 0.700421 0.789947
H -0.271501 -2.854822 3.243753
H -0.793160 -3.938910 1.909460
H 0.949381 -3.661877 2.208090
H 3.951238 -0.320886 0.488542
H 3.158170 0.350075 1.949549
H -0.953903 -3.791808 -0.921009
H -4.006514 -1.386061 -0.084079
H -3.730540 -0.295908 -1.488680
H -2.793051 2.044213 -1.022379
H -2.437125 2.462336 0.692967
H 3.204227 -1.061712 -1.819191
H -5.763377 0.108869 0.814729
H -6.148609 -0.284169 -0.910837
H -4.634711 3.462272 -0.147662
H -4.848096 2.358265 1.272054
H 0.282898 -4.026506 -3.101841
H 2.340373 -2.674903 -3.537717
H 4.466799 1.237370 -1.271109
H 1.196042 2.122524 1.444860
H 4.123528 3.442048 -2.410835
H 0.845076 4.330277 0.301163
H 2.308156 4.993205 -1.631741


