%chk=000025583.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025583

1 1
 O   0.1778000       1.492600     -0.1680000    
 O  -0.4259000     -0.1285000      -2.109400    
 N    4.246200      0.1538000     -0.1382000    
 C    3.018600       1.035900     -0.3136000    
 C    2.230800       1.056600      0.9852000    
 C    3.809800      -1.251900      0.2491000    
 C    5.023900      0.1015000      -1.445300    
 C    5.132600      0.7294000      0.9568000    
 C    1.012900       1.963200      0.8809000    
 C   -1.169500       1.703400     -2.7899999E-02
 C   -2.083600      0.8186000     -0.5894000    
 C   -1.625300     -0.3788000      -1.354500    
 C   -1.420400      -1.616800     -0.4898000    
 C   -1.606500       2.815600      0.6837000    
 C   -3.451000       1.048800     -0.4380000    
 C   -2.973900       3.045800      0.8351000    
 C   -3.896200       2.162400      0.2742000    
 C   -2.511700      -2.402600     -0.1845000    
 C  -0.1507000      -1.911500     -3.9999999E-02
 C   -2.324400      -3.535800      0.6070000    
 C   3.6600001E-02  -3.044700      0.7515000    
 C   -1.050200      -3.857000       1.075000    
 H    3.364300       2.038200     -0.5929000    
 H    2.432300      0.6209000      -1.141400    
 H    2.823500       1.429400       1.824600    
 H    1.862400      6.2100001E-02   1.248300    
 H    3.060400      -1.597000     -0.4677000    
 H    4.690700      -1.900700      0.1984000    
 H    3.431700      -1.267800       1.273800    
 H    5.328700       1.119400      -1.706200    
 H    5.902400     -0.5355000      -1.305600    
 H    4.371700     -0.3143000      -2.219100    
 H    5.281500       1.796300      0.7664000    
 H    4.685000      0.5564000       1.938300    
 H    6.094800      0.2081000      0.9199000    
 H    1.323600       2.992000      0.6644000    
 H   0.5069000       1.934100       1.854700    
 H   -2.372000     -0.6221000      -2.122200    
 H  -0.9255000       3.546300       1.109200    
 H   -4.182800      0.3717000     -0.8705000    
 H   -3.321200       3.916700       1.383200    
 H   -4.960800       2.342800      0.3904000    
 H   -3.506700      -2.163400     -0.5468000    
 H   0.7068000      -1.296800     -0.2825000    
 H  -0.4991000      0.7558000      -2.507300    
 H   -3.170600      -4.168600      0.8583000    
 H    1.029000      -3.294600       1.115400    
 H  -0.9044000      -4.739400       1.691000    


%chk=000025583-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025583

1 1
O -0.019273 1.240788 0.892162
O 0.338924 0.274667 -1.928669
N 3.586485 -0.016773 0.068698
C 2.665200 1.222984 0.198497
C 2.219713 1.578638 1.630784
C 2.929788 -1.255823 0.682371
C 3.775813 -0.271463 -1.428611
C 4.935202 0.233688 0.728575
C 0.825411 2.235387 1.571177
C -1.270200 1.631650 0.373298
C -1.772946 0.855231 -0.712713
C -0.977071 -0.246584 -1.401230
C -0.650991 -1.508873 -0.607486
C -2.008596 2.711789 0.906865
C -3.055501 1.185978 -1.214757
C -3.282945 3.017779 0.379202
C -3.815632 2.248574 -0.677621
C -1.092810 -1.719151 0.720310
C 0.058358 -2.548360 -1.268236
C -0.813656 -2.936815 1.384234
C 0.340498 -3.763627 -0.606781
C -0.093359 -3.960597 0.726745
H 3.220025 2.055875 -0.270173
H 1.776221 0.981352 -0.413465
H 2.924827 2.261901 2.136653
H 2.116830 0.675397 2.256862
H 1.891155 -1.323365 0.327574
H 3.497545 -2.143248 0.362780
H 2.953964 -1.184045 1.778463
H 4.219598 0.624533 -1.889939
H 4.446524 -1.133747 -1.565561
H 2.786029 -0.471101 -1.869331
H 5.426413 1.086345 0.234695
H 4.780792 0.458580 1.794240
H 5.560316 -0.667267 0.627819
H 0.832976 3.183571 0.995798
H 0.455398 2.439699 2.593748
H -1.567900 -0.562659 -2.287417
H -1.610857 3.300002 1.739930
H -3.462696 0.600852 -2.048537
H -3.856097 3.850720 0.799187
H -4.804780 2.477328 -1.084956
H -1.666344 -0.941167 1.232929
H 0.376568 -2.402575 -2.307173
H 0.129120 0.978132 -2.596439
H -1.171897 -3.091333 2.407782
H 0.870754 -4.563613 -1.135237
H 0.105601 -4.909257 1.236957


