%chk=000055377.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055377

0 1
 O    1.487200      -2.046700     -0.7393000    
 N    3.213400      9.6699998E-02 -0.6835000    
 N    5.611800      0.7486000      0.7934000    
 C   -4.548900     -0.2478000      0.6115000    
 C   -4.834800       1.104200       1.289100    
 C   -5.511500     -0.3231000     -0.5918000    
 C   -6.212300       1.505800      0.7841000    
 C   -6.196900       1.036900     -0.6600000    
 C   -3.088600     -0.4215000      0.2585000    
 C    3.315600     -0.1636000      0.7576000    
 C    4.050700       1.243100      -1.057400    
 C    4.773800     -0.3974000       1.167300    
 C    5.508900       1.010700     -0.6473000    
 C    1.822800      0.3204000      -1.073300    
 C   -2.471400      0.4703000     -0.6185000    
 C   -2.359300      -1.475400      0.8093000    
 C  -0.4333000     -0.7408000     -0.3848000    
 C    1.007900     -0.9148000     -0.7352000    
 C   -1.124900      0.3084000     -0.9447000    
 C   -1.013000      -1.637300      0.4830000    
 C    7.002700      0.5232000       1.182000    
 H   -4.839400      -1.044400       1.310500    
 H   -4.108300       1.877900       1.015500    
 H   -4.814400       1.019900       2.381000    
 H   -6.265700      -1.096700     -0.3993000    
 H   -5.025500     -0.5783000      -1.539200    
 H   -6.389600       2.581500      0.8715000    
 H   -6.992300      0.9808000       1.347800    
 H   -7.201300      0.9730000      -1.088400    
 H   -5.607000       1.726000      -1.275700    
 H    2.760300      -1.055300       1.064700    
 H    2.907000      0.6789000       1.333100    
 H    3.680100       2.167400     -0.5936000    
 H    4.017100       1.387400      -2.144100    
 H    4.808100     -0.5400000       2.254400    
 H    5.144000      -1.322200      0.7043000    
 H    5.926700      0.1769000      -1.227900    
 H    6.086100       1.907600     -0.9030000    
 H    1.420000       1.199200     -0.5565000    
 H    1.748100      0.4745000      -2.155900    
 H   -3.024300       1.291400      -1.066500    
 H   -2.825400      -2.178000       1.494900    
 H  -0.6737000       1.003500      -1.645100    
 H  -0.4556000      -2.458500      0.9229000    
 H    7.615500       1.399200      0.9420000    
 H    7.437400     -0.3494000      0.6813000    
 H    7.079800      0.3732000       2.264600    


%chk=000055377-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055377

0 1
O 1.515235 -1.856970 0.721788
N 3.350886 0.120296 -0.170892
N 6.155696 0.630177 0.359272
C -4.838196 -0.176739 0.185443
C -5.403771 0.956379 1.093447
C -5.461894 0.153587 -1.211771
C -6.874282 1.078660 0.628530
C -6.815850 0.884496 -0.919931
C -3.323905 -0.313344 0.196366
C 3.905516 -0.002932 1.202010
C 4.115310 1.119739 -0.957857
C 5.394672 -0.373089 1.144278
C 5.602346 0.734056 -1.011076
C 1.910240 0.385819 -0.198646
C -2.482505 0.758349 -0.210408
C -2.703753 -1.517367 0.624525
C -0.466187 -0.574087 0.245189
C 1.023534 -0.774464 0.291358
C -1.080593 0.634072 -0.188147
C -1.302962 -1.647809 0.651259
C 7.605893 0.361107 0.359687
H -5.274419 -1.132876 0.539805
H -4.856071 1.899484 0.899120
H -5.299615 0.726935 2.168893
H -5.594021 -0.761468 -1.815757
H -4.779169 0.813107 -1.778362
H -7.335746 2.038941 0.919940
H -7.475573 0.272259 1.090607
H -7.682556 0.305034 -1.284562
H -6.842718 1.861037 -1.436959
H 3.353858 -0.796299 1.731167
H 3.792335 0.958932 1.765157
H 4.030927 2.146426 -0.517293
H 3.709157 1.150865 -1.987123
H 5.803512 -0.402498 2.171829
H 5.490156 -1.397569 0.703287
H 5.702851 -0.231630 -1.570097
H 6.163479 1.511162 -1.564188
H 1.627284 1.296990 0.398285
H 1.612824 0.605990 -1.244148
H -2.930585 1.701733 -0.544926
H -3.333486 -2.358193 0.940424
H -0.468980 1.485108 -0.505939
H -0.823094 -2.574948 0.982421
H 8.134256 1.164123 -0.185756
H 7.876531 -0.616471 -0.115923
H 7.981033 0.349290 1.398970


