%chk=000147342.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147342

0 1
 O   -2.210000      -1.360700      -1.376100    
 O   -3.812400      0.1580000       1.466000    
 O   -5.413300      -2.083900       1.199200    
 O    2.908000       3.711000      8.6900003E-02
 O    4.859300     -0.4857000      0.1171000    
 N   -1.662800      0.6832000     -0.3555000    
 N  -0.3935000      -2.000100     -0.1795000    
 N    4.224400       1.772500      0.1406000    
 N    5.462000       2.359100      0.2397000    
 C   -2.774100     -0.1913000     -0.7573000    
 C   -3.555900     -0.7862000      0.4392000    
 C   -1.803700      -2.220200     -0.3157000    
 C   -2.588300      -1.850000      0.9392000    
 C  -0.3066000      0.4582000     -0.2282000    
 C   0.3082000     -0.8307000     -0.1743000    
 C   -3.640000      0.4245000      -1.867500    
 C   0.6179000       1.568100     -9.1899998E-02
 C   -4.890600      -1.441800      5.4299999E-02
 C   -1.721800       2.068100     -0.1275000    
 C    1.750900     -0.8499000     -6.5899998E-02
 C   0.6095000      -2.953300     -7.2600000E-02
 C  -0.4024000       2.617300     -3.1199999E-02
 C    1.887200      -2.313900     -1.6200000E-02
 C    2.008000       1.503500     -2.2700001E-02
 C    2.596200      0.2504000     -1.8200001E-02
 C   -2.845000       2.915000     -5.0000002E-04
 C   0.4941000      -4.356700     -1.9900000E-02
 C  -0.2874000       4.021400      0.1443000    
 C    3.064500       2.506600      7.7399999E-02
 C    4.041100      0.4115000      8.8000000E-02
 C    3.025700      -3.152400      9.0499997E-02
 C   -2.678500       4.288500      0.1779000    
 C   -1.413500       4.839700      0.2405000    
 C    1.646000      -5.136200      8.3300002E-02
 C    2.896800      -4.543600      0.1369000    
 H   -1.991000      -3.250900     -0.6271000    
 H   -3.073000      -2.735500       1.363900    
 H   -1.942400      -1.463900       1.738600    
 H   -4.190800     -0.3501000      -2.415100    
 H   -4.376200       1.137000      -1.492100    
 H   -3.018600      0.9314000      -2.615700    
 H   -4.770400      -2.185500     -0.7402000    
 H   -5.621800     -0.6916000     -0.2639000    
 H   -4.496500      0.7699000       1.146700    
 H   -3.855100       2.523800     -2.5800001E-02
 H  -0.4768000      -4.841800     -5.6200001E-02
 H   0.6856000       4.492500      0.2252000    
 H    4.023600      -2.731300      0.1406000    
 H   -6.257500      -2.491400      0.9410000    
 H   -3.552700       4.927300      0.2700000    
 H   -1.292200       5.910000      0.3802000    
 H    1.559000      -6.218600      0.1234000    
 H    3.786200      -5.162600      0.2187000    
 H    5.910500       1.988700       1.076600    
 H    6.018800       2.035400     -0.5503000    


%chk=000147342-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147342

0 1
O -2.228735 -1.360037 -1.402481
O -3.814978 0.335253 1.403002
O -5.428742 -1.871164 1.382079
O 2.845892 3.726026 0.240138
O 4.868696 -0.534807 0.238826
N -1.702990 0.774148 -0.373815
N -0.326713 -2.129205 -0.216835
N 4.164323 1.733181 0.270001
N 5.420497 2.333175 0.409417
C -2.809494 -0.148006 -0.796748
C -3.551550 -0.738219 0.456291
C -1.766756 -2.265711 -0.304594
C -2.527439 -1.791191 0.970429
C -0.346966 0.405419 -0.229272
C 0.268407 -0.863547 -0.171630
C -3.689177 0.471226 -1.889019
C 0.463667 1.591440 -0.083218
C -4.890958 -1.407019 0.085736
C -1.781955 2.191312 -0.238339
C 1.692472 -1.018810 -0.050154
C 0.679993 -3.116779 -0.156154
C -0.452317 2.721273 -0.092157
C 1.954218 -2.454084 -0.047487
C 1.867224 1.440329 0.044357
C 2.474167 0.154858 0.048847
C -2.908955 3.038926 -0.181025
C 0.565142 -4.520820 -0.172962
C -0.253832 4.118054 0.047026
C 2.934629 2.476970 0.190146
C 3.942070 0.318380 0.190173
C 3.136864 -3.228827 0.035252
C -2.690418 4.425339 -0.041534
C -1.378586 4.964532 0.057646
C 1.759632 -5.271144 -0.094272
C 3.027959 -4.634846 0.008936
H -2.016377 -3.292432 -0.613525
H -3.025256 -2.624798 1.489625
H -1.833219 -1.300740 1.671696
H -4.211130 -0.341712 -2.419100
H -4.435673 1.166657 -1.478820
H -3.065621 1.013966 -2.616563
H -4.738080 -2.253525 -0.611618
H -5.573350 -0.663514 -0.368583
H -4.444467 -0.034294 2.079203
H -3.925699 2.644222 -0.180878
H -0.403953 -5.025482 -0.246155
H 0.762672 4.507225 0.153125
H 4.105647 -2.726805 0.117415
H -6.370069 -2.153754 1.280150
H -3.555574 5.096096 0.011314
H -1.244076 6.045937 0.165430
H 1.705449 -6.365517 -0.111147
H 3.932595 -5.248851 0.070548
H 5.861825 2.118421 1.309450
H 6.027767 2.166074 -0.399375


