%chk=000056721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056721

0 1
 O  -0.3150000      9.8399997E-02  -2.030500    
 O   0.8381000       1.977300       2.011800    
 N   0.6419000       1.033400     -0.1192000    
 N   -1.216800       1.498600       1.019800    
 N    4.009400     -0.5556000     -0.3031000    
 C   -1.726600      0.9588000     -0.2305000    
 C  -0.3985000      0.6283000     -0.9291000    
 C   -2.395200       2.087500      -1.025900    
 C   -2.563900     -0.2896000      9.8000001E-03
 C    2.044100      0.8916000     -0.4563000    
 C   0.1773000       1.554400       1.072100    
 C    2.607500     -0.4198000      7.0900001E-02
 C   -3.629400       2.616200     -0.3165000    
 C   -2.418800      -1.010200       1.195900    
 C   -3.477600     -0.7143000     -0.9555000    
 C    4.558600      -1.815800      0.2011000    
 C    4.790400      0.5755000      0.2015000    
 C   -3.186000      -2.154100       1.416300    
 C   -4.244900      -1.858300     -0.7350000    
 C    3.763100      -3.004900     -0.3102000    
 C    6.241500      0.4805000     -0.2384000    
 C   -4.099100      -2.578000      0.4509000    
 H   -1.694400       2.923200      -1.161300    
 H   -2.662300       1.766200      -2.039300    
 H   -1.807400       1.809600       1.785300    
 H    2.148500      0.9461000      -1.546200    
 H    2.526300       1.764700     -1.0400000E-02
 H    1.998600      -1.217400     -0.3688000    
 H    2.474600     -0.4765000       1.159700    
 H   -4.078700       3.417800     -0.9131000    
 H   -3.388000       3.042000      0.6622000    
 H   -4.396400       1.849400     -0.1782000    
 H   -1.709000     -0.7241000       1.966300    
 H   -3.604300     -0.1892000      -1.896400    
 H    4.590800      -1.839100       1.297700    
 H    5.580000      -1.964600     -0.1639000    
 H    4.733900      0.6629000       1.293700    
 H    4.448900       1.520500     -0.2286000    
 H   -3.070100      -2.717200       2.337900    
 H   -4.953000      -2.191200      -1.488300    
 H    4.322300      -3.928000     -0.1193000    
 H    3.592200      -2.946700      -1.390800    
 H    2.800700      -3.115600      0.1990000    
 H    6.745100       1.436300     -5.3500000E-02
 H    6.328900      0.2686000      -1.309600    
 H    6.799600     -0.2766000      0.3210000    
 H   -4.695200      -3.469600      0.6217000    


%chk=000056721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056721

0 1
O -0.315679 -0.242590 -1.896140
O 0.910518 2.639452 1.616954
N 0.641897 1.094146 -0.191457
N -1.206596 1.903261 0.811213
N 4.007377 -0.655345 -0.110631
C -1.739341 1.016755 -0.239994
C -0.411981 0.517843 -0.900681
C -2.562150 1.818188 -1.301035
C -2.524488 -0.186003 0.322919
C 2.068351 0.857651 -0.463426
C 0.177905 1.966040 0.852035
C 2.551907 -0.501816 0.101674
C -3.862344 2.427713 -0.739952
C -2.704641 -0.365529 1.715998
C -3.069634 -1.146087 -0.569484
C 4.417250 -2.026576 -0.511118
C 4.817447 -0.083747 0.998964
C -3.437281 -1.469199 2.209994
C -3.796921 -2.249780 -0.075125
C 4.037342 -2.359495 -1.966733
C 6.215548 0.382189 0.550023
C -3.990985 -2.412919 1.316659
H -1.910829 2.616734 -1.705360
H -2.787587 1.136299 -2.140390
H -1.780650 2.498505 1.404110
H 2.232956 0.873478 -1.553956
H 2.627565 1.689488 -0.001979
H 2.012256 -1.308152 -0.424995
H 2.272082 -0.569841 1.179811
H -4.409479 2.960515 -1.537733
H -3.659470 3.163174 0.061615
H -4.528790 1.647601 -0.332011
H -2.260475 0.347750 2.418025
H -2.899209 -1.047810 -1.646445
H 3.991224 -2.799565 0.177723
H 5.515977 -2.090670 -0.410253
H 4.914928 -0.810470 1.845119
H 4.268591 0.787848 1.402645
H -3.570162 -1.591995 3.290757
H -4.206875 -2.985540 -0.775923
H 4.363894 -3.383678 -2.227708
H 4.519729 -1.645845 -2.657115
H 2.945829 -2.303918 -2.130458
H 6.768713 0.817422 1.403281
H 6.125870 1.146380 -0.241541
H 6.820472 -0.451691 0.150080
H -4.558357 -3.268774 1.698743


