%chk=000047546.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047546

0 1
 O  -0.6360000      -1.674200      -1.394100    
 O   -1.312900      -2.776900      0.6397000    
 N   -3.622200      0.7707000      0.3442000    
 N    3.943600      0.5382000     -0.2613000    
 C   -2.476700     -0.1293000      0.2129000    
 C   -3.273700       1.927900       1.180400    
 C   -4.096300       1.195800     -0.9804000    
 C   -2.881700      -1.382500     -0.5538000    
 C   -1.706000      -2.349400     -0.6879000    
 C   -4.475600       2.854700       1.368300    
 C   -5.325400       2.098800     -0.8630000    
 C   -5.044800       3.303900      2.7300000E-02
 C    5.329700      0.9931000     -0.4392000    
 C    3.182400       1.471000      0.5814000    
 C    5.377300       2.379700      -1.083100    
 C    3.159800       2.873200     -2.8999999E-02
 C    4.571200       3.392500     -0.2781000    
 C    3.916100     -0.8074000      0.3113000    
 C   0.3647000      -1.716800     -0.4711000    
 C   -2.110400      -3.584200      -1.492500    
 C    2.528700      -1.343900      0.4336000    
 C  -2.1800000E-02  -2.346300      0.6898000    
 C    1.635200      -1.203800     -0.6309000    
 C    2.133800      -1.987200       1.620000    
 C   0.8408000      -2.497800       1.755600    
 H   -1.645500      0.3875000     -0.2825000    
 H   -2.139400     -0.4121000       1.216900    
 H   -2.440300       2.491400      0.7402000    
 H   -2.949100       1.587200       2.171100    
 H   -4.432500      0.3546000      -1.590900    
 H   -3.304800       1.716700      -1.535000    
 H   -3.195300      -1.143700      -1.573800    
 H   -3.716600      -1.874600     -3.9000001E-02
 H   -5.254700       2.334700       1.940200    
 H   -4.179200       3.730900       1.956000    
 H   -6.165100       1.526400     -0.4482000    
 H   -5.631900       2.439900      -1.858500    
 H   -5.963800       3.879800      0.1822000    
 H   -4.327700       3.967900     -0.4708000    
 H    5.868600      0.2958000      -1.092300    
 H    5.860600       1.016300      0.5218000    
 H    3.613700       1.521600       1.590400    
 H    2.136400       1.168300      0.6967000    
 H    6.417400       2.715100      -1.163500    
 H    4.979100       2.324300      -2.104200    
 H    2.604500       2.853200     -0.9754000    
 H    2.627700       3.559700      0.6394000    
 H    4.531800       4.349800     -0.8092000    
 H    5.068600       3.576300      0.6821000    
 H    4.475700      -1.498000     -0.3333000    
 H    4.417400     -0.8137000       1.288700    
 H   -1.265600      -4.277100      -1.580200    
 H   -2.414100      -3.316200      -2.509800    
 H   -2.924600      -4.128800      -1.003100    
 H    1.917200     -0.7228000      -1.561400    
 H    2.831600      -2.095900       2.446600    
 H   0.5320000      -2.994300       2.668400    


%chk=000047546-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047546

0 1
O -0.593868 -1.335474 -1.245514
O -1.329052 -2.454452 0.752725
N -4.147022 0.772349 0.217058
N 4.324821 0.496750 -0.197191
C -2.876850 0.002674 0.182167
C -4.183566 1.711111 1.370281
C -4.415333 1.489571 -1.057044
C -3.005163 -1.282931 -0.660150
C -1.740288 -2.140679 -0.670074
C -5.552764 2.411904 1.478165
C -5.791430 2.185994 -1.030109
C -5.890529 3.158238 0.167419
C 5.710513 0.708471 -0.685434
C 3.876326 1.605081 0.684308
C 5.828157 2.035568 -1.461859
C 3.941718 2.960390 -0.047098
C 5.365859 3.223910 -0.587475
C 4.154149 -0.830662 0.441111
C 0.476917 -1.468168 -0.331201
C -1.847933 -3.453302 -1.443581
C 2.692670 -1.242355 0.592539
C 0.043375 -2.127708 0.842089
C 1.786451 -1.014714 -0.485560
C 2.248960 -1.895269 1.767864
C 0.908714 -2.353190 1.914054
H -2.027492 0.618013 -0.204530
H -2.627378 -0.289722 1.218083
H -3.380329 2.491577 1.281097
H -3.979838 1.133996 2.291605
H -4.383164 0.764978 -1.890650
H -3.617954 2.256128 -1.255399
H -3.243675 -1.044891 -1.713458
H -3.839881 -1.888631 -0.261936
H -6.328116 1.647331 1.678847
H -5.540149 3.111933 2.335931
H -6.580200 1.413577 -0.945487
H -5.948325 2.724121 -1.985028
H -6.900720 3.606396 0.223052
H -5.172326 3.992196 0.023730
H 5.981614 -0.141371 -1.340701
H 6.444139 0.719429 0.165647
H 4.510456 1.654316 1.610657
H 2.841467 1.392416 1.007544
H 6.875273 2.176488 -1.792802
H 5.194065 1.975156 -2.367670
H 3.222128 2.946695 -0.888526
H 3.631203 3.765927 0.645975
H 5.395601 4.166394 -1.166458
H 6.065705 3.345068 0.265646
H 4.674389 -1.567355 -0.204924
H 4.653323 -0.881737 1.443324
H -0.889503 -3.997774 -1.402266
H -2.095508 -3.252061 -2.499916
H -2.635784 -4.088350 -1.003851
H 2.124963 -0.485111 -1.380025
H 2.955645 -2.054895 2.590514
H 0.567438 -2.853345 2.824187


