%chk=000093788.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093788

0 1
 O  -0.4571000      -3.361200     -0.7800000    
 N   -4.852300       1.821800      0.1970000    
 N    4.795900       1.946800      0.2342000    
 C   1.2500000E-02  -1.008200     -0.6499000    
 C   -1.261700     -0.2660000     -0.4277000    
 C    1.312000     -0.2062000     -0.4093000    
 C   7.8699999E-02  -2.421200     -1.5400000E-02
 C   -1.781900      0.5442000      -1.436800    
 C    2.387400     -0.4681000      -1.213800    
 C   -1.934000     -0.3830000      0.7889000    
 C    1.317000      0.7236000      0.5949000    
 C   -3.646700       1.120600     -1.2800000E-02
 C    3.610600       1.214500      1.5300000E-02
 C   -2.974300       1.237600      -1.229400    
 C    3.559600      0.2563000     -0.9973000    
 C   -3.126400      0.3102000      0.9964000    
 C    2.489200       1.448100      0.8113000    
 C   0.5748000      -2.821100       1.142200    
 C   0.3339000      -4.215800       1.142500    
 C  -0.2956000      -4.494800     -4.8200000E-02
 C   -5.733400       2.116000     -0.9155000    
 C   -5.232700       2.245100       1.530200    
 C    6.087300       1.357800     -5.9099998E-02
 C    4.737300       3.303100      0.7422000    
 H   1.8800000E-02  -1.220800      -1.733700    
 H   -1.267000      0.6495000      -2.388100    
 H    2.353500      -1.211500      -2.003400    
 H   -1.551700     -0.9929000       1.601400    
 H   0.4695000      0.9149000       1.241800    
 H   -3.345400       1.869800      -2.031000    
 H    4.411000      5.8100000E-02  -1.642400    
 H   -3.628900      0.1904000       1.952100    
 H    2.501200       2.176000       1.617700    
 H    1.051000      -2.239300       1.917500    
 H   0.5866000      -4.928400       1.914300    
 H  -0.6731000      -5.400600     -0.5000000    
 H   -5.369600       2.980600      -1.480600    
 H   -6.744900       2.352900     -0.5671000    
 H   -5.826300       1.258400      -1.591400    
 H   -5.986300       3.039700       1.492100    
 H   -4.377000       2.650000       2.082400    
 H   -5.662400       1.410800       2.094600    
 H    6.891100       1.888700      0.4634000    
 H    6.302200       1.408100      -1.131700    
 H    6.135800      0.3132000      0.2685000    
 H    3.935400       3.876500      0.2635000    
 H    5.671200       3.840700      0.5428000    
 H    4.581700       3.305000       1.826200    


%chk=000093788-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093788

0 1
O -0.761863 -3.461455 -0.289861
N -4.913468 1.861303 0.129369
N 4.848899 1.988535 0.175281
C 0.011586 -1.135694 -0.723553
C -1.303316 -0.374930 -0.480969
C 1.266362 -0.273044 -0.494684
C 0.111951 -2.408986 0.083401
C -1.804700 0.500343 -1.475579
C 2.444488 -0.520761 -1.241516
C -2.036936 -0.479781 0.723987
C 1.315403 0.750615 0.481431
C -3.730019 1.134556 -0.068240
C 3.678377 1.247950 -0.043259
C -2.985760 1.241338 -1.286527
C 3.626057 0.214852 -1.032834
C -3.222297 0.251847 0.935841
C 2.487442 1.498152 0.709614
C 0.877238 -2.821883 1.163248
C 0.477203 -4.177772 1.489558
C -0.514043 -4.530347 0.591424
C -5.410118 2.755271 -0.920993
C -5.662722 1.711591 1.380260
C 6.050907 1.710675 -0.616760
C 4.869088 3.041211 1.195388
H 0.017781 -1.438700 -1.792275
H -1.257133 0.608464 -2.420964
H 2.440294 -1.311831 -2.002987
H -1.682292 -1.156752 1.510663
H 0.414471 0.980208 1.061683
H -3.332054 1.898751 -2.089213
H 4.505851 -0.013138 -1.641417
H -3.754759 0.128887 1.883355
H 2.471209 2.283637 1.470745
H 1.643984 -2.226910 1.654328
H 0.879069 -4.804584 2.283606
H -1.110951 -5.423415 0.428648
H -4.680034 3.555646 -1.162638
H -6.340073 3.239082 -0.581551
H -5.635203 2.208684 -1.860782
H -6.563764 2.344941 1.347238
H -5.063451 2.019006 2.262736
H -5.990270 0.663624 1.543983
H 6.861807 2.387362 -0.303069
H 5.878305 1.868061 -1.701976
H 6.406522 0.668231 -0.479266
H 4.128720 3.840216 0.981877
H 5.867742 3.505654 1.224472
H 4.650969 2.641196 2.207576


