%chk=000054539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054539

0 1
 O   -5.118600      0.6028000       0.000000    
 O   -3.702100       2.280000      5.0000002E-04
 N   -3.946000       1.049200       0.000000    
 C   0.9412000      0.1725000     -9.9999997E-05
 C    1.979500     -0.7954000     -9.9999997E-05
 C  -0.4297000     -0.2677000       0.000000    
 C  -0.7099000      -1.659200       0.000000    
 C    3.327700     -0.3982000       0.000000    
 C    1.339800       1.532700     -1.9999999E-04
 C    1.663800      -2.156300     -1.9999999E-04
 C    2.684300       1.914200     -3.9999999E-04
 C   0.3394000      -2.581800     -1.9999999E-04
 C    3.678600      0.9483000       0.000000    
 C   -1.546000      0.6059000      9.9999997E-05
 C   -2.037000      -2.121500     -1.9999999E-04
 C   -2.861000      0.1328000      9.9999997E-05
 C    4.454100      -1.387600      7.9999998E-04
 C   -3.106500      -1.231500       0.000000    
 C    3.048500       3.360800     -9.9999997E-05
 H   0.5971000       2.326800      2.0999999E-03
 H    2.427100      -2.930300     -1.9999999E-04
 H   0.1380000      -3.651500     -3.0000001E-04
 H    4.723400       1.248600      2.2000000E-03
 H   -1.376000       1.679400       0.000000    
 H   -2.250300      -3.189000     -3.0000001E-04
 H    5.433700     -0.8962000      7.9999998E-04
 H    4.415600      -2.015600      0.8973000    
 H    4.416100      -2.016500     -0.8950000    
 H   -4.113100      -1.640700     -1.9999999E-04
 H    4.051900       3.521400     -0.4090000    
 H    2.354600       3.938800     -0.6199000    
 H    3.022500       3.754500       1.020800    


%chk=000054539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054539

0 1
O -5.165798 0.654200 -0.044800
O -3.666427 2.373484 -0.041700
N -3.956631 1.112643 -0.038243
C 0.961670 0.154134 0.000663
C 2.015532 -0.831987 0.012362
C -0.435253 -0.295436 -0.007194
C -0.730825 -1.711032 -0.003004
C 3.393917 -0.407541 0.020152
C 1.313612 1.537071 -0.003009
C 1.668594 -2.234918 0.016111
C 2.652352 1.956503 0.004711
C 0.351557 -2.660526 0.008772
C 3.680677 0.964230 0.016149
C -1.529585 0.614382 -0.018908
C -2.091556 -2.156923 -0.010578
C -2.845522 0.134605 -0.026050
C 4.527294 -1.418716 0.032590
C -3.153810 -1.254221 -0.022054
C 3.018709 3.428832 0.001693
H 0.531963 2.303026 -0.011932
H 2.472728 -2.977200 0.025086
H 0.112182 -3.729896 0.011823
H 4.728231 1.291335 0.021873
H -1.384254 1.696460 -0.022584
H -2.290329 -3.234354 -0.007158
H 5.504378 -0.908033 0.036182
H 4.488016 -2.069852 0.926344
H 4.499411 -2.079201 -0.854681
H -4.198194 -1.574233 -0.027979
H 3.640131 3.684646 -0.877208
H 2.122549 4.071471 -0.019894
H 3.605383 3.696747 0.900766


