%chk=000047205.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047205

0 1
 O    1.733500      0.4914000     -4.2500000E-02
 O   0.6915000     -0.5244000      -1.819300    
 N    5.413200      0.4515000     -0.2510000    
 N  -0.5187000      0.4137000     -7.6499999E-02
 C   -1.846800      0.1110000     -0.5581000    
 C    4.088100      0.7413000      0.2958000    
 C    6.411700       1.352100      0.3239000    
 C    5.776600     -0.9425000      1.5000000E-03
 C    3.000200      0.2033000     -0.6199000    
 C   -2.307200      -1.275900     -0.1471000    
 C   -2.852100       1.187000     -0.1894000    
 C    6.524800       1.158900       1.826700    
 C    7.124700      -1.278400     -0.6133000    
 C   0.6357000      7.0200004E-02 -0.7480000    
 C   -3.191800      -1.986100     -0.9588000    
 C   -3.555600       1.101800       1.012100    
 C   -1.845500      -1.840400       1.042000    
 C   -3.072100       2.261200      -1.051600    
 C   -3.614800      -3.260600     -0.5814000    
 C   -4.479200       2.090500       1.351300    
 C   -2.268300      -3.115000       1.419300    
 C   -3.995700       3.249900     -0.7124000    
 C   -3.153100      -3.825000      0.6075000    
 C   -4.699100       3.164500      0.4891000    
 H   -1.772800      8.9599997E-02  -1.655200    
 H    3.942800      0.3367000       1.306000    
 H    3.927200       1.824800      0.3808000    
 H    6.124500       2.391300      0.1166000    
 H    7.390400       1.242100     -0.1549000    
 H    5.754000      -1.227200       1.059400    
 H    5.054200      -1.600700     -0.4942000    
 H    3.066600      0.6806000      -1.605400    
 H    3.077800     -0.8812000     -0.7456000    
 H  -0.4214000      0.8854000      0.8181000    
 H    5.584900       1.317800       2.362400    
 H    6.938100      0.1870000       2.110000    
 H    7.224600       1.906400       2.220400    
 H    7.192100     -0.9391000      -1.652800    
 H    7.961600     -0.8572000     -4.8400000E-02
 H    7.264800      -2.365300     -0.6172000    
 H   -3.560100      -1.557500      -1.887100    
 H   -3.400200      0.2959000       1.721300    
 H   -1.166100      -1.308800       1.702300    
 H   -2.529100       2.341000      -1.989500    
 H   -4.304100      -3.813300      -1.213000    
 H   -5.023700       2.027200       2.289000    
 H   -1.911400      -3.553600       2.346500    
 H   -4.166500       4.086800      -1.383200    
 H   -3.483100      -4.817000      0.9019000    
 H   -5.417200       3.935200      0.7538000    


%chk=000047205-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047205

0 1
O 1.666070 0.308639 0.282040
O 0.679279 -0.094938 -1.825836
N 5.386027 0.700105 0.109543
N -0.547042 -0.189891 0.179582
C -1.864205 -0.416164 -0.451658
C 4.046338 0.472639 0.700953
C 6.296812 1.511477 0.954545
C 5.979704 -0.529598 -0.474502
C 2.967672 0.580575 -0.387020
C -2.580169 -1.641028 0.142275
C -2.686296 0.884436 -0.426211
C 6.800921 0.841840 2.263090
C 7.157196 -0.246019 -1.425660
C 0.591921 0.000742 -0.573200
C -3.962603 -1.845606 -0.107276
C -3.449974 1.259858 0.708188
C -1.870043 -2.626083 0.871259
C -2.614556 1.771294 -1.529236
C -4.618152 -3.001435 0.368859
C -4.125679 2.499526 0.740079
C -2.526475 -3.781217 1.355043
C -3.293642 3.010024 -1.501806
C -3.903892 -3.973899 1.107344
C -4.050683 3.378752 -0.365751
H -1.627392 -0.641442 -1.510085
H 3.954130 -0.516156 1.208216
H 3.851026 1.244278 1.467985
H 5.763443 2.447796 1.207451
H 7.165636 1.810951 0.339713
H 6.304379 -1.253617 0.315235
H 5.182083 -1.038085 -1.048128
H 2.946479 1.595378 -0.821065
H 3.113383 -0.147745 -1.203954
H -0.498905 0.020350 1.178192
H 5.957458 0.548779 2.915339
H 7.402270 -0.061860 2.054894
H 7.438359 1.546098 2.829752
H 6.853718 0.478204 -2.201984
H 8.034263 0.163998 -0.893172
H 7.477877 -1.180526 -1.921601
H -4.526743 -1.097231 -0.675433
H -3.526998 0.575511 1.561774
H -0.797446 -2.492569 1.048050
H -2.015519 1.491726 -2.404517
H -5.685523 -3.142891 0.164562
H -4.712407 2.778747 1.622627
H -1.960274 -4.531187 1.919137
H -3.232383 3.684724 -2.363028
H -4.413467 -4.869423 1.480182
H -4.578076 4.339065 -0.342888


