%chk=000042878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042878

0 1
 N  -0.6315000      4.6300001E-02  -1.134100    
 N   -3.326700     -0.3176000     -0.2606000    
 N    2.820200       2.100600      0.3417000    
 C  -0.9303000     -0.1614000      0.2880000    
 C   -1.584100     -0.7065000      -1.959700    
 C   0.7407000     -0.3602000      -1.434800    
 C   -2.345600      0.3127000      0.6280000    
 C   -3.020500     -0.2496000      -1.695100    
 C    1.746400      0.4261000     -0.6366000    
 C    2.853500     -0.1116000      3.1199999E-02
 C    1.722600       1.775500     -0.4494000    
 C    3.506600      0.9433000      0.6316000    
 C   -4.671100     -0.3794000      0.1226000    
 C    3.305700      -1.470900      0.1327000    
 C   0.8723000       2.841400     -0.8639000    
 C    3.113900       3.406000      0.7370000    
 C    4.734100      0.9461000       1.462500    
 C   -5.237000      0.6126000      0.9485000    
 C   -5.499900      -1.435700     -0.3056000    
 C    1.153800       4.102600     -0.4840000    
 C    2.309500       4.406900      0.3436000    
 C    4.196700      -1.981600     -0.8111000    
 C    2.853800      -2.280000       1.175000    
 C   -6.577000      0.5505000       1.330900    
 C   -6.839900      -1.497700      7.6700002E-02
 C    4.635700      -3.301900     -0.7128000    
 C    3.292900      -3.600300       1.273400    
 C   -7.378400     -0.5046000      0.8950000    
 C    4.183800      -4.111300      0.3294000    
 H  -0.2524000      0.3916000      0.9462000    
 H  -0.8320000      -1.224400      0.5490000    
 H   -1.500700      -1.784300      -1.765000    
 H   -1.365300     -0.5486000      -3.022700    
 H   0.9547000     -0.1796000      -2.496600    
 H   0.8704000      -1.436500      -1.263800    
 H   -2.549400      5.2999999E-02   1.674300    
 H   -2.401900       1.404600      0.5317000    
 H   -3.159200      0.7817000      -2.044600    
 H   -3.693800     -0.8835000      -2.283400    
 H   1.1400000E-02   2.647800      -1.493600    
 H    3.987100       3.579500       1.353600    
 H    4.523400       1.342100       2.461600    
 H    5.151300     -5.6800000E-02   1.593200    
 H    5.512100       1.563000       1.000500    
 H   -4.647000       1.456500       1.297300    
 H   -5.098900      -2.228400     -0.9334000    
 H   0.5236000       4.929200     -0.7936000    
 H    2.497200       5.435900      0.6250000    
 H    4.558300      -1.364200      -1.630000    
 H    2.158000      -1.897500       1.918200    
 H   -6.997500       1.324900       1.965700    
 H   -7.463500      -2.320700     -0.2601000    
 H    5.329200      -3.699900      -1.447800    
 H    2.940900      -4.230700       2.084600    
 H   -8.421800     -0.5529000       1.192700    
 H    4.525500      -5.139300      0.4060000    


%chk=000042878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042878

0 1
N -0.670084 0.004754 -1.062984
N -3.412981 -0.387999 -0.213596
N 2.995643 2.218782 0.162852
C -0.991529 -0.316805 0.345305
C -1.647883 -0.661377 -1.954103
C 0.739277 -0.324816 -1.435737
C -2.404377 0.170006 0.710155
C -3.071069 -0.172669 -1.639360
C 1.762464 0.455221 -0.645970
C 2.937210 -0.044958 0.022645
C 1.801124 1.866994 -0.558547
C 3.687207 1.057153 0.513385
C -4.773157 -0.435902 0.185227
C 3.330970 -1.466562 0.189026
C 0.947968 2.915689 -1.007164
C 3.315055 3.550856 0.425963
C 4.938505 1.113822 1.338902
C -5.205514 0.089230 1.442529
C -5.761887 -1.052423 -0.644121
C 1.276777 4.248201 -0.749731
C 2.478145 4.561196 -0.021559
C 4.636595 -1.909151 -0.163747
C 2.417981 -2.425701 0.710528
C -6.552533 -0.016578 1.850071
C -7.104709 -1.142671 -0.229932
C 5.017328 -3.259054 0.001012
C 2.795254 -3.776380 0.871995
C -7.518691 -0.630268 1.022840
C 4.097644 -4.200456 0.518355
H -0.253859 0.181356 0.999362
H -0.934153 -1.421441 0.530538
H -1.609378 -1.775847 -1.845107
H -1.404701 -0.411548 -3.004296
H 0.835176 -0.088584 -2.515633
H 0.944906 -1.417625 -1.332185
H -2.628083 -0.170316 1.735848
H -2.418392 1.284889 0.701433
H -3.137883 0.911511 -1.889009
H -3.783297 -0.710437 -2.283542
H 0.029584 2.629192 -1.526340
H 4.236464 3.735245 0.981811
H 4.786797 1.684462 2.277401
H 5.248353 0.094515 1.617930
H 5.784849 1.586789 0.800239
H -4.500094 0.604300 2.100471
H -5.479764 -1.491260 -1.606271
H 0.623221 5.056926 -1.090292
H 2.746391 5.599736 0.191508
H 5.344342 -1.190968 -0.593950
H 1.418064 -2.099268 1.016259
H -6.847598 0.399613 2.820761
H -7.832807 -1.629336 -0.889799
H 6.027050 -3.577316 -0.282624
H 2.076592 -4.495593 1.281243
H -8.563607 -0.705660 1.341007
H 4.390992 -5.248671 0.644098


