%chk=000071659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071659

0 1
 O  -0.4937000      4.8799999E-02 -0.3485000    
 O   0.4128000     -8.8000000E-03   1.801400    
 N   -3.872500      0.1547000       1.165800    
 C   -2.862000     -0.1679000      0.1504000    
 C   -1.505800      0.3664000      0.6076000    
 C   -3.246400      0.4321000      -1.209000    
 C   -4.634700     -2.8899999E-02  -1.644200    
 C  -0.9872000     -0.2741000       1.865100    
 C   0.7487000      1.9000000E-03  0.3932000    
 C   -5.655900      0.2345000     -0.5429000    
 C   -5.194300     -0.3482000      0.7907000    
 C    1.583200       1.241500      7.5400002E-02
 C    1.507400      -1.275500      3.6699999E-02
 C    1.496100       1.841500      -1.182900    
 C    2.325400      -1.892700      0.9856000    
 C    2.436400       1.779100       1.041700    
 C    1.385700      -1.830300      -1.239100    
 C    2.258000       2.973300      -1.473200    
 C    3.018100      -3.058900      0.6603000    
 C    3.198400       2.910900      0.7513000    
 C    2.078500      -2.996500      -1.564500    
 C    3.109100       3.508000     -0.5061000    
 C    2.894700      -3.610900     -0.6147000    
 H   -2.789800      -1.258300      3.6200002E-02
 H   -1.522200       1.459700      0.7119000    
 H   -2.519900      0.1405000      -1.976700    
 H   -3.230200       1.528700      -1.156900    
 H   -4.609400      -1.101800      -1.871000    
 H   -4.931500      0.4880000      -2.563500    
 H   -1.410000      0.1491000       2.779900    
 H   -1.124700      -1.361200       1.873400    
 H   -3.921600       1.167300       1.281400    
 H   -5.810000       1.316100     -0.4389000    
 H   -6.622100     -0.2001000     -0.8228000    
 H   -5.911500     -8.0499999E-02   1.574300    
 H   -5.175700      -1.443700      0.7430000    
 H   0.8471000       1.439900      -1.956200    
 H    2.445500      -1.478500       1.982800    
 H    2.530700       1.328100       2.025600    
 H   0.7632000      -1.366900      -1.999600    
 H    2.190200       3.437200      -2.453000    
 H    3.655300      -3.536200       1.399000    
 H    3.862900       3.326100       1.503400    
 H    1.984100      -3.425300      -2.557900    
 H    3.703200       4.388500     -0.7326000    
 H    3.434800      -4.518300     -0.8683000    


%chk=000071659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000071659

0 1
O -0.464966 0.839857 -0.206569
O 0.547692 0.376388 1.868589
N -3.761113 -0.287828 1.245725
C -2.727303 -0.104693 0.182949
C -1.551136 0.667130 0.800532
C -3.288378 0.573406 -1.093900
C -4.513210 -0.212618 -1.624640
C -0.862412 -0.060438 1.977635
C 0.824937 0.400305 0.422302
C -5.584632 -0.394236 -0.520748
C -4.954818 -1.028296 0.747640
C 1.886124 1.463603 0.141850
C 1.189388 -1.007915 -0.069938
C 2.700477 1.383120 -1.013085
C 2.108325 -1.780226 0.684048
C 2.014610 2.577943 1.006759
C 0.653884 -1.537572 -1.267287
C 3.626560 2.409362 -1.305457
C 2.480320 -3.070149 0.248013
C 2.946813 3.597669 0.719611
C 1.029323 -2.828700 -1.705923
C 3.753359 3.519708 -0.440158
C 1.942811 -3.598395 -0.950166
H -2.364016 -1.117369 -0.090006
H -1.878569 1.685562 1.100315
H -2.494814 0.638715 -1.861257
H -3.587161 1.614917 -0.848377
H -4.179754 -1.212294 -1.973827
H -4.947601 0.302501 -2.502338
H -1.217066 0.247237 2.970550
H -0.944602 -1.158563 1.867964
H -4.046940 0.633019 1.619664
H -6.018674 0.593115 -0.258620
H -6.416046 -1.028176 -0.887282
H -5.692865 -1.088861 1.568644
H -4.632437 -2.063825 0.519851
H 2.613862 0.519445 -1.680818
H 2.514771 -1.367461 1.613573
H 1.390678 2.625186 1.903826
H -0.056273 -0.933614 -1.841604
H 4.250093 2.339509 -2.203890
H 3.186807 -3.663193 0.839807
H 3.044997 4.452977 1.397820
H 0.609474 -3.231796 -2.634681
H 4.475069 4.313483 -0.664525
H 2.232812 -4.599540 -1.288967


