%chk=000096438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096438

0 1
 N    1.196200     -0.7329000      0.3397000    
 N   -3.005400      -1.886500     -1.0400000E-02
 C    2.600900     -0.5448000     -1.7500000E-02
 C    2.776300      0.7856000     -0.7583000    
 C    3.470300     -0.5941000       1.243600    
 C    4.245400       1.053500      -1.080800    
 C    4.938600     -0.3250000      0.9182000    
 C    5.116600      0.9935000      0.1706000    
 C   0.3581000     -0.7398000     -0.8495000    
 C   -1.085700     -0.9304000     -0.4758000    
 C   -2.002400      9.8200001E-02 -0.1886000    
 C   -1.706600      -2.135900     -0.3644000    
 C   -3.214400     -0.5306000      0.1042000    
 C   -1.940000       1.505200     -0.1435000    
 C   -4.371900      0.1801000      0.4411000    
 C   -3.089900       2.229200      0.1920000    
 C   -4.286100       1.574800      0.4794000    
 H    2.918500      -1.364600     -0.6767000    
 H    2.379900       1.615100     -0.1581000    
 H    2.256500      0.7988000      -1.720800    
 H    3.382500      -1.574900       1.727100    
 H    3.122800      0.1513000       1.971500    
 H    4.346400       2.037900      -1.552000    
 H    4.601100      0.3130000      -1.808100    
 H    5.333600      -1.146800      0.3083000    
 H    5.523500     -0.3051000       1.844600    
 H    6.169100       1.121200     -0.1062000    
 H    4.857400       1.826800      0.8352000    
 H    1.092600      -1.616300      0.8394000    
 H   0.6616000      -1.542500      -1.533900    
 H   0.3998000      0.1993000      -1.407900    
 H   -1.358100      -3.150100     -0.5004000    
 H   -3.709500      -2.594700      0.1448000    
 H   -1.015600       2.031700     -0.3632000    
 H   -5.303600     -0.3285000      0.6651000    
 H   -3.047600       3.314500      0.2287000    
 H   -5.167100       2.156800      0.7378000    


%chk=000096438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096438

0 1
N 1.106197 -0.381809 0.125248
N -3.247650 -1.922075 -0.453052
C 2.577746 -0.378633 -0.058950
C 3.015278 0.684045 -1.098187
C 3.255414 -0.101069 1.303531
C 4.555863 0.744213 -1.232408
C 4.795940 -0.040401 1.182388
C 5.232702 1.010099 0.133272
C 0.312639 -0.895407 -1.020883
C -1.144471 -1.044607 -0.664103
C -2.020784 -0.024143 -0.107740
C -1.928126 -2.181956 -0.856141
C -3.334285 -0.603225 0.012156
C -1.819294 1.320485 0.304426
C -4.437801 0.120567 0.516941
C -2.916381 2.047981 0.804623
C -4.211068 1.455569 0.909444
H 2.942956 -1.376672 -0.427443
H 2.620636 1.665725 -0.766749
H 2.562902 0.468627 -2.085479
H 2.960625 -0.883435 2.033675
H 2.868800 0.864200 1.689037
H 4.839124 1.528430 -1.960906
H 4.927608 -0.219239 -1.640314
H 5.183066 -1.036856 0.883931
H 5.241382 0.193021 2.168872
H 6.334695 1.006009 0.022785
H 4.947273 2.021382 0.489928
H 0.839686 -0.869270 0.993056
H 0.699937 -1.876299 -1.400058
H 0.418625 -0.176646 -1.857896
H -1.644255 -3.154016 -1.256522
H -4.017281 -2.585914 -0.492373
H -0.818836 1.760034 0.244878
H -5.433018 -0.330506 0.603531
H -2.778682 3.086347 1.126984
H -5.043362 2.048446 1.305699


