%chk=000037980.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037980

0 1
 O   -4.741700      0.9945000      0.5155000    
 O    1.120100      -2.128500      0.8482000    
 N   -2.401400     -0.2935000     -0.4672000    
 N  -5.5700000E-02 -0.5783000     -0.4089000    
 N    4.608200       1.247000     -0.2138000    
 C   -2.341300      0.6656000      0.6446000    
 C   -3.711200     -0.9594000     -0.4872000    
 C   -3.483500       1.670300      0.5245000    
 C   -4.820900      8.3999999E-02 -0.5817000    
 C   -1.322400      -1.273900     -0.3656000    
 C    1.076800      -1.077200      0.2146000    
 C    2.311200     -0.2647000      6.5099999E-02
 C    3.533500     -0.8907000      0.1329000    
 C    2.196800       1.090500     -0.1373000    
 C    4.654200     -8.9100003E-02 -1.2700000E-02
 C    3.377300       1.803500     -0.2709000    
 H   -1.403500       1.231600      0.6448000    
 H   -2.420000      0.1391000       1.605000    
 H   -3.848500      -1.556400      0.4239000    
 H   -3.781700      -1.633200      -1.348800    
 H   -3.476700       2.347300       1.384800    
 H   -3.390500       2.283100     -0.3804000    
 H   -4.772700      0.6419000      -1.524900    
 H   -5.798400     -0.4067000     -0.5368000    
 H   -1.389100      -1.875200      0.5490000    
 H   -1.334500      -1.952300      -1.225900    
 H  -3.4000000E-03  0.2351000      -1.012300    
 H    3.642200      -1.957900      0.2869000    
 H    1.255800       1.625800     -0.1660000    
 H    5.651200     -0.5154000      2.8400000E-02
 H    3.363500       2.877500     -0.4250000    


%chk=000037980-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037980

0 1
O -4.810988 1.027220 0.571414
O 1.036779 -1.925565 1.112052
N -2.418530 -0.343137 -0.310377
N -0.054107 -0.720335 -0.557236
N 4.716472 1.286761 -0.378209
C -2.457927 0.363292 0.998373
C -3.766230 -0.848300 -0.679560
C -3.468929 1.518411 0.929444
C -4.756575 0.328602 -0.722957
C -1.360180 -1.368355 -0.385408
C 1.047427 -1.010035 0.229600
C 2.288237 -0.179602 -0.020623
C 3.517422 -0.664333 0.489490
C 2.297988 1.064144 -0.702229
C 4.692483 0.089831 0.285051
C 3.523430 1.752781 -0.852804
H -1.450866 0.759079 1.225061
H -2.748240 -0.332824 1.822394
H -4.139311 -1.608683 0.049368
H -3.714756 -1.324323 -1.677673
H -3.585726 2.005228 1.911332
H -3.131569 2.265347 0.178472
H -4.451148 1.039629 -1.520932
H -5.784086 -0.023378 -0.911469
H -1.274516 -2.009525 0.519086
H -1.583202 -2.020062 -1.252737
H -0.001139 -0.009435 -1.288729
H 3.529158 -1.610063 1.039063
H 1.382995 1.526041 -1.090562
H 5.658423 -0.263235 0.662147
H 3.560908 2.719226 -1.368041


