%chk=000065699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065699

0 1
 O   -2.745000      -1.531700      0.8290000    
 O    6.961400     -0.1156000     -0.8617000    
 N   -5.803800      0.4360000      0.2009000    
 N    4.979600      -1.181500     -0.1364000    
 N    2.632700      -1.209600     -0.5500000    
 C   -6.884100      0.8911000       1.087200    
 C   -6.337400     -0.3095000     -0.9476000    
 C   -7.869700       1.790300      0.3393000    
 C   -7.305300      0.5501000      -1.762000    
 C   -8.434200       1.090400     -0.8917000    
 C   -4.844900     -0.3832000      0.9417000    
 C    3.664900     -0.7588000      0.3455000    
 C   -3.659900     -0.7496000      6.2700003E-02
 C    3.791400      0.7310000      0.3158000    
 C    5.052500       1.103400     -0.1534000    
 C    5.817400     -0.1137000     -0.4450000    
 C    2.872300       1.698800      0.6804000    
 C    5.370100      -2.570500     -0.2781000    
 C    1.290200      -1.290400     -0.2054000    
 C    5.442700       2.422300     -0.2831000    
 C   -1.428900      -1.452800      0.4916000    
 C    3.242000       3.042300      0.5577000    
 C    4.515700       3.400500      7.9300001E-02
 C   0.2874000      -1.117100      -1.175400    
 C   0.9016000      -1.546900       1.121300    
 C   -1.061600      -1.197600     -0.8296000    
 C  -0.4473000      -1.627600       1.467100    
 H   -7.421100      3.6300000E-02   1.519300    
 H   -6.463600       1.466900       1.920700    
 H   -6.842300      -1.228100     -0.6212000    
 H   -5.552300     -0.5949000      -1.652600    
 H   -7.364300       2.715500      3.4299999E-02
 H   -8.688400       2.079000       1.008200    
 H   -7.724700     -4.0800001E-02  -2.584200    
 H   -6.761200       1.388500      -2.215700    
 H   -9.054800       1.785100      -1.468400    
 H   -9.082300      0.2631000     -0.5775000    
 H   -4.466800      0.1699000       1.811600    
 H   -5.309800      -1.294300       1.341800    
 H    3.580200      -1.131800       1.370600    
 H   -3.948900      -1.372700     -0.7873000    
 H   -3.195800      0.1788000     -0.2961000    
 H    2.840100      -1.157900      -1.542500    
 H    1.889900       1.437200       1.056900    
 H    6.409600      -2.645600     -0.6073000    
 H    5.256700      -3.066500      0.6895000    
 H    4.721900      -3.049500      -1.016400    
 H    6.425900       2.695900     -0.6480000    
 H    2.537600       3.821300      0.8372000    
 H    4.779300       4.451300     -5.7000001E-03
 H   0.5573000     -0.9225000      -2.211100    
 H    1.630800      -1.706900       1.909600    
 H   -1.792000      -1.082700      -1.625000    
 H  -0.7279000      -1.830200       2.497000    


%chk=000065699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065699

0 1
O -2.849361 -0.705647 0.974249
O 6.629782 -1.894517 -0.700461
N -6.421769 -0.098174 0.079936
N 4.448024 -1.227897 -0.036925
N 2.558054 0.357039 -0.385944
C -7.603097 0.218610 0.923831
C -6.777102 -1.030042 -1.022584
C -8.725461 0.858732 0.080308
C -7.869624 -0.427268 -1.928078
C -9.120517 -0.061886 -1.096905
C -5.250996 -0.561494 0.862277
C 3.721527 0.009354 0.403916
C -3.945360 -0.121797 0.185041
C 4.836550 1.054203 0.330288
C 6.042661 0.444068 -0.076745
C 5.803901 -1.015848 -0.318683
C 4.779187 2.431235 0.601413
C 3.796825 -2.528430 -0.165001
C 1.214308 0.073936 -0.051925
C 7.231405 1.182645 -0.214169
C -1.532425 -0.407946 0.574512
C 5.971803 3.187253 0.463616
C 7.185130 2.570101 0.063215
C 0.172399 0.634780 -0.837952
C 0.849155 -0.749959 1.052339
C -1.185744 0.396261 -0.538781
C -0.504226 -0.976638 1.362424
H -8.004601 -0.702615 1.424656
H -7.283774 0.915296 1.721129
H -7.141185 -2.009635 -0.611457
H -5.869351 -1.245242 -1.615987
H -8.362465 1.827648 -0.314060
H -9.599839 1.064254 0.727481
H -8.127397 -1.150509 -2.725584
H -7.468472 0.482887 -2.414385
H -9.880634 0.428691 -1.733810
H -9.581312 -0.990294 -0.699731
H -5.286886 -0.112619 1.871355
H -5.235363 -1.668915 1.000018
H 3.388866 -0.128480 1.452761
H -3.892552 -0.487497 -0.861286
H -3.874896 0.983898 0.178765
H 2.732331 0.840626 -1.267271
H 3.842582 2.909303 0.908352
H 4.511908 -3.213662 -0.650395
H 3.520973 -2.949409 0.821665
H 2.884607 -2.448495 -0.783156
H 8.154461 0.685053 -0.528708
H 5.957320 4.263181 0.670321
H 8.092092 3.177064 -0.032858
H 0.425962 1.274088 -1.693049
H 1.613563 -1.231850 1.669977
H -1.954382 0.848094 -1.172569
H -0.783683 -1.607035 2.212417


