%chk=000155721.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155721

0 1
 N   -4.936200      0.2458000     -2.5500000E-02
 N   -7.708700      0.4348000     -0.6864000    
 N   0.5976000      5.1899999E-02  0.8071000    
 N    3.440100      -2.894000     -0.1077000    
 C   -5.611300     -0.8747000     -0.6873000    
 C   -5.561300       1.561800     -0.2085000    
 C   -7.107900     -0.8657000     -0.3660000    
 C   -7.059000       1.491900      9.8399997E-02
 C   -3.553100      0.1980000      0.1820000    
 C   -9.147600      0.4135000     -0.4260000    
 C   -2.738400     -0.5042000     -0.7061000    
 C   -2.989400      0.8519000       1.277700    
 C  -0.7909000      0.1011000      0.5979000    
 C   -1.359900     -0.5525000     -0.4985000    
 C   -1.610800      0.8035000       1.485100    
 C    2.906000     -0.5696000      0.2211000    
 C    1.577300     -0.9212000      0.4959000    
 C    3.815600      -1.601100     -7.9599999E-02
 C    4.663400       1.109500     -3.4699999E-02
 C    3.331900      0.7698000      0.2418000    
 C    5.580400      8.2300000E-02 -0.3368000    
 C    5.136000      -1.252500     -0.3527000    
 C    1.186300      -2.252000      0.4681000    
 C    5.102800       2.444000     -1.7700000E-02
 C    6.916500      0.4160000     -0.6148000    
 C    2.148900      -3.192200      0.1633000    
 C    6.432900       2.758500     -0.2961000    
 C    7.338900       1.745600     -0.5943000    
 H   -5.197400      -1.832600     -0.3482000    
 H   -5.468800     -0.8079000      -1.773600    
 H   -5.402900       1.894900      -1.242400    
 H   -5.114900       2.319300      0.4459000    
 H   -7.589400      -1.656800     -0.9538000    
 H   -7.256800      -1.110500      0.6945000    
 H   -7.205800       1.323000       1.173800    
 H   -7.503800       2.465000     -0.1430000    
 H   -9.376600      0.2111000      0.6267000    
 H   -9.637500     -0.3513000      -1.038700    
 H   -9.601600       1.372500     -0.6994000    
 H   -3.140800      -1.008500      -1.580000    
 H   -3.608600       1.391800       1.989200    
 H  -0.7482000      -1.084000      -1.222500    
 H   -1.185100       1.314100       2.345400    
 H   0.9453000      0.8104000       1.385700    
 H    2.635500       1.576200      0.4632000    
 H    5.846900      -2.045800     -0.5866000    
 H   0.1783000      -2.577500      0.6985000    
 H    4.411000       3.251400      0.2131000    
 H    7.642000     -0.3600000     -0.8504000    
 H    1.905000      -4.249100      0.1326000    
 H    6.760600       3.793800     -0.2799000    
 H    8.374800       1.989100     -0.8112000    


%chk=000155721-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155721

0 1
N -5.076103 0.285043 -0.068760
N -7.949631 0.388804 -0.414449
N 0.636875 0.241245 0.324639
N 3.527859 -2.937970 0.127513
C -5.769418 -0.699002 -0.923671
C -5.823010 1.558060 0.068842
C -7.224419 -0.899842 -0.462306
C -7.269920 1.308760 0.524859
C -3.661644 0.282026 -0.005888
C -9.383339 0.221179 -0.109311
C -2.871610 -0.609189 -0.795691
C -2.956189 1.148590 0.885245
C -0.784114 0.198532 0.217907
C -1.468327 -0.649566 -0.687888
C -1.556830 1.099997 0.997274
C 2.975502 -0.482224 0.102463
C 1.551838 -0.805540 0.213966
C 3.922150 -1.596718 0.086942
C 4.864451 1.110843 -0.073616
C 3.473241 0.836940 0.001523
C 5.807972 -0.000050 -0.054593
C 5.307815 -1.322954 0.017022
C 1.189860 -2.164360 0.236847
C 5.374651 2.453399 -0.175023
C 7.218622 0.286474 -0.125705
C 2.204171 -3.168449 0.190577
C 6.744631 2.693302 -0.242954
C 7.676486 1.597779 -0.216259
H -5.251761 -1.670950 -0.849467
H -5.766078 -0.380723 -1.991784
H -5.846175 2.094024 -0.907225
H -5.325140 2.211485 0.801564
H -7.735256 -1.572115 -1.176580
H -7.217729 -1.401960 0.540043
H -7.261202 0.898746 1.568300
H -7.814109 2.271467 0.538917
H -9.573523 -0.234859 0.895361
H -9.852230 -0.425302 -0.872557
H -9.886625 1.204184 -0.139455
H -3.344805 -1.258991 -1.536827
H -3.502193 1.842669 1.530799
H -0.903908 -1.315408 -1.347566
H -1.055530 1.759619 1.716952
H 1.022965 1.147115 0.593361
H 2.791910 1.696199 -0.057613
H 5.987615 -2.181543 0.013431
H 0.146905 -2.469138 0.344146
H 4.664679 3.289440 -0.195377
H 7.926301 -0.550656 -0.108871
H 1.902554 -4.223182 0.226361
H 7.121993 3.719141 -0.317050
H 8.751073 1.804430 -0.269765


