%chk=000046616.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046616

1 1
 O   -2.069700      0.2075000      0.9562000    
 O   -2.592000     -0.1180000      -1.286000    
 N    2.479600      -1.138800      4.6999999E-03
 N   -4.187400     -0.4485000      0.3656000    
 C    1.417600     -4.1400000E-02  0.1083000    
 C    1.796000      -2.448800     -0.3760000    
 C    3.186700      -1.266500       1.351200    
 C    3.532200     -0.8253000      -1.056600    
 C    1.790300       1.229000     -0.1786000    
 C   0.1776000     -0.4437000      0.4847000    
 C   0.8086000       2.215000     -7.8500003E-02
 C  -0.8038000      0.5424000      0.5851000    
 C    3.171900       1.622700     -0.5883000    
 C  -0.4885000       1.871600      0.3033000    
 C   -2.932100     -0.1248000     -0.1065000    
 C   -5.287100     -0.8325000     -0.4885000    
 H    1.161000      -2.291400      -1.254200    
 H    2.573800      -3.179900     -0.6246000    
 H    1.254100      -2.860600      0.4803000    
 H    2.447900      -1.546700       2.108800    
 H    3.944000      -2.051600       1.262400    
 H    3.655200     -0.3148000       1.614700    
 H    4.402400     -0.3016000     -0.6612000    
 H    3.972600      -1.791000      -1.344200    
 H    3.054500     -0.4665000      -1.972900    
 H  -0.1147000      -1.449900      0.7499000    
 H    1.033700       3.255800     -0.2958000    
 H    3.227800       2.722100     -0.5319000    
 H    3.936800       1.350600      0.1421000    
 H    3.413400       1.451900      -1.639000    
 H   -1.248600       2.644400      0.3791000    
 H   -4.346900     -0.4149000       1.367700    
 H   -6.100600     -0.1186000     -0.3385000    
 H   -5.620700      -1.828600     -0.1877000    
 H   -4.991200     -0.8422000      -1.540100    


%chk=000046616-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046616

1 1
O -2.233896 0.770313 0.108113
O -2.346117 -1.609213 -0.170562
N 2.382429 -1.145834 -0.200201
N -4.252573 -0.241602 0.010631
C 1.464466 0.090400 -0.052522
C 1.604406 -2.437946 -0.491853
C 3.140802 -1.385516 1.113809
C 3.354871 -0.965203 -1.373326
C 1.995098 1.405960 0.103810
C 0.077182 -0.166772 -0.051947
C 1.027504 2.441094 0.257005
C -0.835260 0.901736 0.098342
C 3.451611 1.862419 0.081063
C -0.357805 2.219302 0.255309
C -2.918427 -0.499404 -0.034093
C -5.265779 -1.301596 -0.104218
H 1.017202 -2.318159 -1.412883
H 2.343763 -3.242719 -0.622483
H 0.945452 -2.682653 0.352076
H 2.400828 -1.543015 1.911918
H 3.776780 -2.277486 1.000000
H 3.759098 -0.513706 1.355340
H 4.008373 -0.106619 -1.193012
H 3.961038 -1.879346 -1.470147
H 2.764689 -0.801159 -2.286901
H -0.351278 -1.160016 -0.165696
H 1.392302 3.466305 0.379812
H 3.537267 2.827598 0.606099
H 4.171884 1.183968 0.566561
H 3.802779 2.039180 -0.953965
H -1.066161 3.042931 0.375366
H -4.542765 0.731108 0.126533
H -5.906739 -1.134017 -0.987165
H -5.897508 -1.336103 0.800294
H -4.751117 -2.267833 -0.216111


