%chk=000049396.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049396

0 1
 N    3.683400      0.6304000      0.4256000    
 C    4.167400      0.5995000     -0.9617000    
 C    4.626200       1.340400       1.301300    
 C    5.530400     -8.7899998E-02  -1.055300    
 C    6.004200      0.6770000       1.281900    
 C    6.550700      0.5760000     -0.1375000    
 C    2.359200       1.248100      0.4917000    
 C    1.353700      0.4335000     -0.3212000    
 C   -1.151500      0.3261000     -0.3144000    
 C  -1.0900000E-02   1.040400     -0.2477000    
 C   -2.459800       1.027900     -0.2313000    
 C   -1.007600      -1.144100     -0.3626000    
 C   -3.507700     -0.6351000       1.491000    
 C   -2.165300      -1.257900       1.877400    
 C   -3.521500      0.5867000      0.5892000    
 C   -1.495000      -1.920900      0.7015000    
 C   -2.663300       2.158100      -1.053900    
 C  -0.3976000      -1.772200      -1.459400    
 C   -4.739600       1.302200      0.5612000    
 C   -1.357600      -3.315500      0.6552000    
 C   -3.872600       2.852800      -1.055700    
 C  -0.2673000      -3.160300      -1.493400    
 C   -4.912300       2.425400     -0.2450000    
 C  -0.7458000      -3.930800     -0.4369000    
 H    4.233300       1.612500      -1.379800    
 H    3.515300      1.2400000E-02  -1.613300    
 H    4.257000       1.327000       2.334100    
 H    4.720600       2.392800       1.002400    
 H    5.891100     -5.7700001E-02  -2.089800    
 H    5.428800      -1.146300     -0.7827000    
 H    5.934700     -0.3272000       1.719200    
 H    6.699600       1.249800       1.905800    
 H    7.486700      6.8000001E-03 -0.1410000    
 H    6.781900       1.580300     -0.5131000    
 H    2.391400       2.286500      0.1347000    
 H    2.021300       1.276900       1.536200    
 H    1.611800      0.4386000      -1.384000    
 H    1.395500     -0.5944000      5.1600002E-02
 H  -4.9800001E-02   2.125700     -0.1777000    
 H   -4.000100     -0.3531000       2.431900    
 H   -4.138600      -1.400800       1.019300    
 H   -2.342200      -2.004100       2.662700    
 H   -1.493400     -0.5125000       2.321400    
 H   -1.878200       2.508500      -1.722100    
 H  -3.4299999E-02  -1.193000      -2.305100    
 H   -5.575000      0.9756000       1.178200    
 H   -1.729500      -3.933300       1.468700    
 H   -4.000600       3.719900      -1.696700    
 H   0.2034000      -3.640300      -2.346300    
 H   -5.859500       2.956100     -0.2443000    
 H  -0.6456000      -5.011900     -0.4644000    


%chk=000049396-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049396

0 1
N 3.777466 0.655821 0.182171
C 4.474059 1.213171 -1.004972
C 4.564940 0.888931 1.420964
C 5.866396 0.575025 -1.185288
C 5.959380 0.236878 1.322295
C 6.724122 0.763374 0.086444
C 2.376653 1.124526 0.305221
C 1.421151 0.431710 -0.702627
C -1.140008 0.227922 -0.387073
C 0.007629 0.953724 -0.577559
C -2.466945 0.935301 -0.304644
C -1.127611 -1.271695 -0.325485
C -3.436859 -0.457251 1.719383
C -2.061672 -1.101806 2.021415
C -3.503631 0.620108 0.630691
C -1.561425 -1.935360 0.857094
C -2.705064 1.977909 -1.250842
C -0.689507 -2.040914 -1.432826
C -4.713058 1.365511 0.580885
C -1.543744 -3.349366 0.906575
C -3.909075 2.706178 -1.281929
C -0.680424 -3.452543 -1.377223
C -4.929120 2.396177 -0.354056
C -1.107675 -4.110994 -0.201934
H 4.589598 2.327731 -0.911127
H 3.859842 1.024125 -1.903676
H 4.005309 0.459029 2.272799
H 4.690026 1.987373 1.623342
H 6.366529 1.026175 -2.064195
H 5.737266 -0.505461 -1.388667
H 5.831404 -0.859669 1.238724
H 6.527483 0.440556 2.250664
H 7.696208 0.245392 -0.019238
H 6.945302 1.842553 0.223646
H 2.298254 2.237888 0.187231
H 2.028286 0.888508 1.328682
H 1.787084 0.622060 -1.733699
H 1.469779 -0.658774 -0.544623
H -0.086815 2.051277 -0.597561
H -3.827218 -0.012099 2.656451
H -4.145290 -1.268296 1.450432
H -2.164699 -1.735351 2.922086
H -1.331391 -0.305002 2.263306
H -1.930239 2.188745 -1.995995
H -0.368726 -1.524540 -2.344775
H -5.501394 1.125610 1.306468
H -1.870189 -3.856363 1.823144
H -4.055888 3.493645 -2.029520
H -0.343347 -4.032397 -2.243692
H -5.877337 2.945100 -0.362131
H -1.100413 -5.205553 -0.148857


