%chk=000032270.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032270

0 1
 O    4.811800       2.130600     -0.3108000    
 O    4.438500       1.192800       1.752200    
 N   -2.065000      -1.135900     -1.9700000E-02
 N   0.6209000      -2.165000     -0.3131000    
 N   -5.006200       1.132300      0.3440000    
 N    4.940200     -0.1078000     -0.1035000    
 C   -1.565600      -2.218400      0.8370000    
 C  -0.9594000     -0.2697000     -0.4469000    
 C  -0.4849000      -3.030600      0.1150000    
 C   0.1222000      -1.081000      -1.168400    
 C   -3.094800     -0.3614000      0.6698000    
 C    1.649400      -2.940200      -1.004100    
 C   -3.967300      0.3733000     -0.3435000    
 C    3.016800      -2.255900     -0.9466000    
 C    3.515700      -2.031700      0.4862000    
 C   -6.113100      0.2561000      0.7308000    
 C   -5.493200       2.222400     -0.5028000    
 C    4.903900      -1.399100      0.5264000    
 C   -7.173200       1.020300       1.505600    
 C   -6.138600       1.687100      -1.769700    
 C    4.704700       1.082800      0.5599000    
 C    4.590800       3.430900      0.2468000    
 C    4.746500       4.468400     -0.8445000    
 H   -1.162900      -1.818500       1.777600    
 H   -2.385600      -2.899900       1.095100    
 H   -1.306900      0.4983000      -1.145500    
 H  -0.5130000      0.2501000      0.4120000    
 H  -0.9260000      -3.554500     -0.7440000    
 H  -0.1135000      -3.794400      0.8092000    
 H   0.9346000     -0.3938000      -1.429800    
 H  -0.2853000      -1.477200      -2.108700    
 H   -3.723500      -1.052500       1.242400    
 H   -2.657700      0.3348000       1.398300    
 H    1.371800      -3.146800      -2.045700    
 H    1.767300      -3.920100     -0.5219000    
 H   -4.382700     -0.3434000      -1.064600    
 H   -3.333900       1.064200     -0.9114000    
 H    2.984100      -1.306300      -1.492000    
 H    3.738900      -2.888700      -1.478200    
 H    2.815000      -1.386200       1.029200    
 H    3.548400      -2.991000       1.016200    
 H   -6.565500     -0.2896000     -0.1048000    
 H   -5.744100     -0.5141000       1.417300    
 H   -6.182900       2.883200      3.3000000E-02
 H   -4.652900       2.874400     -0.7752000    
 H    5.629400      -2.035800      9.1000004E-03
 H    5.229100      -1.296100       1.567500    
 H   -6.732700       1.629200       2.302700    
 H   -7.782000       1.663900      0.8636000    
 H   -7.861100      0.3119000       1.981200    
 H   -5.474200       1.059000      -2.369400    
 H   -7.071400       1.146800      -1.586200    
 H   -6.407100       2.537400      -2.408500    
 H    5.148500     -6.4099997E-02  -1.096500    
 H    5.322300       3.616400       1.041100    
 H    3.579000       3.481600      0.6641000    
 H    4.583800       5.476100     -0.4523000    
 H    4.033500       4.285000      -1.655100    
 H    5.747900       4.417500      -1.284600    


%chk=000032270-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000032270

0 1
O 4.565246 2.240400 -0.627845
O 4.595782 1.456073 1.601310
N -2.026135 -1.289633 0.100635
N 0.636498 -2.450474 -0.108988
N -5.055298 1.029452 0.329384
N 4.835497 0.014600 -0.244793
C -1.619918 -2.452639 0.928357
C -0.839066 -0.454553 -0.209166
C -0.551487 -3.283849 0.201087
C 0.239145 -1.281141 -0.929676
C -3.130212 -0.519296 0.725829
C 1.729546 -3.250840 -0.713582
C -3.826170 0.444897 -0.264174
C 3.079675 -2.502264 -0.785374
C 3.577817 -2.012851 0.591001
C -6.237809 0.142740 0.194184
C -5.287871 2.450804 -0.027991
C 4.913982 -1.237075 0.527279
C -7.406884 0.537565 1.116124
C -5.657734 2.739875 -1.510336
C 4.658933 1.236521 0.363268
C 4.408758 3.624449 -0.103820
C 4.277301 4.540204 -1.317344
H -1.208788 -2.130718 1.919047
H -2.510630 -3.081814 1.114735
H -1.142659 0.381270 -0.864585
H -0.395129 -0.019398 0.722931
H -1.005069 -3.714236 -0.728630
H -0.234208 -4.123383 0.848404
H 1.121441 -0.638306 -1.099899
H -0.155778 -1.601254 -1.928404
H -3.878410 -1.247817 1.092046
H -2.790373 0.067244 1.615542
H 1.455195 -3.606837 -1.742149
H 1.858332 -4.154768 -0.085468
H -4.023070 -0.111718 -1.211267
H -3.141045 1.275697 -0.517798
H 2.994848 -1.642752 -1.480155
H 3.825335 -3.191550 -1.233812
H 2.801722 -1.381221 1.059513
H 3.717419 -2.886702 1.260149
H -6.601053 0.085262 -0.863876
H -5.912164 -0.880588 0.459867
H -6.083923 2.849046 0.628344
H -4.368232 3.009317 0.232160
H 5.704156 -1.872804 0.080779
H 5.233592 -0.963650 1.547787
H -7.059129 0.609236 2.161935
H -7.850797 1.508869 0.832508
H -8.208450 -0.222011 1.061393
H -4.872723 2.375184 -2.198240
H -6.610850 2.257169 -1.793649
H -5.771304 3.828521 -1.670273
H 4.862332 -0.003237 -1.264217
H 5.291907 3.871154 0.513683
H 3.516675 3.658536 0.547919
H 4.160794 5.587990 -0.984950
H 3.395813 4.267641 -1.923008
H 5.173425 4.476761 -1.958431


