%chk=000038939.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038939

0 1
 N   -4.024600      0.3769000     -0.3301000    
 C    2.399500       1.438400      0.5922000    
 C    2.993500     -0.4132000      -1.019700    
 C    1.692800     -0.9383000       1.082900    
 C   0.5935000      0.3486000     -0.8003000    
 C    3.462300      0.9107000     -0.3888000    
 C    2.167800      0.3905000       1.699900    
 C    2.758700      -1.451400      9.6500002E-02
 C    1.077300       1.667200     -0.1683000    
 C    1.668100     -0.1747000      -1.771600    
 C   0.4160000     -0.6726000      0.3077000    
 C  -0.7495000      -1.277100      0.5744000    
 C   -2.017700      -1.022700     -0.1845000    
 C   -2.805800      0.1320000      0.4327000    
 C   -4.766000       1.506600      0.2326000    
 C   -4.865900     -0.8208000     -0.3554000    
 H    2.739300       2.380000       1.037400    
 H    3.753900     -0.7829000      -1.716400    
 H    1.536200      -1.678700       1.875600    
 H  -0.3195000      0.5552000      -1.362900    
 H    3.647800       1.653700      -1.174000    
 H    4.412900      0.7580000      0.1368000    
 H    3.096700      0.2306000       2.261200    
 H    1.423500      0.7632000       2.415300    
 H    2.440000      -2.405300     -0.3431000    
 H    3.698200      -1.644200      0.6291000    
 H   0.3163000       2.061200      0.5173000    
 H    1.224500       2.423800     -0.9490000    
 H    1.825500      0.5500000      -2.580100    
 H    1.331800      -1.107800      -2.241500    
 H  -0.8053000      -1.988000       1.395100    
 H   -2.577400      -1.963900     -0.1251000    
 H   -1.834400     -0.8619000      -1.252300    
 H   -3.032500     -8.6700000E-02   1.485300    
 H   -2.185200       1.037000      0.4205000    
 H   -5.091600       1.316300       1.261800    
 H   -4.149700       2.412600      0.2274000    
 H   -5.650900       1.728200     -0.3745000    
 H   -5.845400     -0.5885000     -0.7914000    
 H   -4.450300      -1.599100      -1.002700    
 H   -5.039300      -1.233600      0.6451000    


%chk=000038939-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038939

0 1
N -4.341888 0.290437 -0.166025
C 2.646518 1.466523 0.497594
C 3.154341 -0.539618 -0.972675
C 1.686792 -0.814394 1.087154
C 0.802687 0.437834 -0.927429
C 3.719975 0.788026 -0.398047
C 2.267483 0.513577 1.663291
C 2.774700 -1.489910 0.195462
C 1.381368 1.767930 -0.350546
C 1.889943 -0.236373 -1.821726
C 0.460910 -0.499912 0.228253
C -0.765946 -1.028558 0.497554
C -2.058318 -0.804764 -0.264038
C -3.087693 -0.000012 0.571688
C -5.133590 1.350478 0.491762
C -5.159895 -0.911518 -0.426132
H 3.050047 2.413132 0.909332
H 3.919866 -1.025105 -1.610374
H 1.403716 -1.493274 1.914977
H -0.091496 0.660597 -1.537248
H 4.009122 1.467472 -1.225330
H 4.635569 0.586266 0.193964
H 3.161296 0.292808 2.281688
H 1.519424 0.997056 2.322009
H 2.390723 -2.449379 -0.203266
H 3.670783 -1.717774 0.807917
H 0.616628 2.272941 0.271964
H 1.635751 2.453068 -1.184723
H 2.149403 0.438462 -2.662734
H 1.490568 -1.172629 -2.258736
H -0.849517 -1.689868 1.376264
H -2.490790 -1.790437 -0.530480
H -1.889861 -0.262935 -1.211244
H -3.290116 -0.545004 1.532646
H -2.626832 0.968211 0.844619
H -5.506858 1.064343 1.509344
H -4.518770 2.262036 0.598641
H -6.010911 1.601473 -0.131889
H -6.057512 -0.627094 -1.004095
H -4.592583 -1.642228 -1.026650
H -5.499936 -1.422582 0.512366


