%chk=000105312.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105312

0 1
 N  -0.9892000       1.406000      0.9582000    
 N  -0.6426000       2.635300      -1.073200    
 N   -4.565400      -1.652500      -1.110500    
 N   -3.587000     -0.4017000      0.6885000    
 N    4.233700      -2.136600     -0.3154000    
 N    4.825000      0.1835000     -0.4752000    
 N  -0.7209000       3.789400       1.029100    
 N   -1.059300       2.560800       2.997900    
 N  -0.3819000       4.963500     -0.9722000    
 N   -4.674600      -2.493700       1.134000    
 N    6.148500      -1.302400      0.8658000    
 N   -5.623000      -3.692800     -0.6442000    
 N   -3.710900      -1.248200       2.871900    
 N    5.546800      -3.565200       1.001300    
 N    6.702700      0.9693000      0.6891000    
 C  -0.9097000      0.2383000      -1.152300    
 C   0.4200000     -5.4800000E-02  -1.890500    
 C   -2.078500      0.2307000      -2.170800    
 C    1.605100     -0.2692000     -0.9365000    
 C   -3.474900      0.4515000      -1.566200    
 C  -0.8422000       1.532500     -0.3574000    
 C    2.899100     -0.6484000      -1.667500    
 C   -3.907600     -0.6139000     -0.5900000    
 C    4.072900     -0.8847000     -0.7508000    
 C  -0.9169000       2.586800       1.593400    
 C  -0.5926000       3.736500     -0.3064000    
 C   -4.919600      -2.558100     -0.1846000    
 C   -4.004600      -1.388300       1.497900    
 C    5.297200      -2.271700      0.4930000    
 C    5.850400     -0.1019000      0.3436000    
 H   -1.071200     -0.5894000     -0.4491000    
 H   0.6586000      0.7593000      -2.586700    
 H   0.2972000     -0.9613000      -2.497100    
 H   -2.076000     -0.7293000      -2.704100    
 H   -1.909700       1.007000      -2.928700    
 H    1.783200      0.6407000     -0.3504000    
 H    1.352600      -1.058900     -0.2174000    
 H   -4.205100      0.4873000      -2.384800    
 H   -3.529800       1.431500      -1.077200    
 H    2.730900      -1.554400      -2.263300    
 H    3.161200      0.1435000      -2.380500    
 H   -1.011600       3.425700       3.518600    
 H   -1.209500       1.677600       3.465700    
 H  -0.3361000       5.818800     -0.4358000    
 H  -0.2787000       4.972000      -1.977500    
 H   -5.910200      -4.401100      1.7000001E-02
 H   -5.830100      -3.783800      -1.629200    
 H   -3.207300     -0.4322000       3.191300    
 H   -4.005800      -1.966100       3.519100    
 H    6.336700      -3.714700       1.613700    
 H    4.932200      -4.326100      0.7472000    
 H    7.487800      0.8017000       1.303100    
 H    6.517000       1.891300      0.3193000    


%chk=000105312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105312

0 1
N -0.895342 1.688000 1.159914
N -0.406100 2.804969 -0.934729
N -3.356809 -1.805190 -0.511235
N -4.977703 -0.443107 0.667222
N 4.055525 -2.200761 -0.544963
N 4.940458 0.014302 -0.993890
N -0.379002 4.082727 1.150898
N -0.874074 2.941820 3.138071
N 0.092671 5.095031 -0.908780
N -4.828348 -2.837854 1.149029
N 6.203443 -1.534555 0.421833
N -3.234818 -4.093190 -0.024503
N -6.379523 -1.463947 2.242862
N 5.290768 -3.656360 0.814923
N 7.000124 0.617484 -0.053567
C -0.946582 0.394381 -0.946235
C 0.281260 0.038989 -1.826815
C -2.234560 0.481644 -1.818514
C 1.565220 -0.229391 -1.012580
C -3.539246 0.621927 -1.009412
C -0.731259 1.697580 -0.197385
C 2.754951 -0.637665 -1.926775
C -3.966582 -0.613493 -0.240354
C 3.989206 -0.960497 -1.122015
C -0.710063 2.910617 1.777605
C -0.239850 3.963189 -0.208861
C -3.827369 -2.880255 0.215504
C -5.366135 -1.588020 1.327022
C 5.182981 -2.427263 0.215796
C 6.022627 -0.331438 -0.209030
H -1.089964 -0.394998 -0.186587
H 0.456857 0.864883 -2.543702
H 0.028523 -0.865082 -2.417262
H -2.291610 -0.434005 -2.434552
H -2.136867 1.348551 -2.499931
H 1.845903 0.674796 -0.438224
H 1.383055 -1.037496 -0.277392
H -4.375289 0.880329 -1.691276
H -3.482751 1.457383 -0.286795
H 2.468589 -1.531369 -2.511517
H 2.989884 0.187455 -2.621305
H -0.748517 3.818300 3.637334
H -1.123608 2.081018 3.618288
H 0.227075 5.969291 -0.407949
H 0.208114 5.031108 -1.916713
H -3.546728 -4.911723 0.491258
H -2.482743 -4.144158 -0.706690
H -6.792530 -0.547322 2.393442
H -6.696112 -2.285345 2.751083
H 6.106804 -3.863904 1.384312
H 4.545234 -4.333757 0.678495
H 7.814187 0.407053 0.517623
H 6.882927 1.518420 -0.509778


