%chk=000115776.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115776

0 1
 O   -1.397700     -0.6865000      -1.870000    
 N   -5.490300      -1.163900       1.079900    
 N    4.367600     -0.7217000      0.6774000    
 C   -3.476500      0.1290000      0.3846000    
 C   -3.031800       1.258800     -0.5688000    
 C   -1.511000       1.407900     -0.6794000    
 C   -5.007700     -3.3000000E-02  0.2939000    
 C   -3.028900      0.3955000       1.826700    
 C  -0.8402000      0.1164000      -1.125100    
 C   0.5428000     -0.1743000     -0.6461000    
 C    2.684200      0.6101000      6.9300003E-02
 C    1.380400      0.8927000     -0.3842000    
 C    3.065200     -0.7237000      0.2312000    
 C   0.9157000      -1.488700     -0.4872000    
 C    2.203900      -1.793300     -3.8500000E-02
 C    3.802600       1.411000      0.4335000    
 C    4.821800      0.5638000      0.8027000    
 H   -3.027700     -0.8193000      6.6299997E-02
 H   -3.458700       2.214700     -0.2403000    
 H   -3.437500       1.063100      -1.569800    
 H   -1.276100       2.180200      -1.420700    
 H   -1.110800       1.736000      0.2845000    
 H   -5.504100      0.8792000      0.6443000    
 H   -5.304000     -0.1853000     -0.7504000    
 H   -3.422400       1.350300       2.191500    
 H   -1.938100      0.4233000       1.907500    
 H   -3.372300     -0.3919000       2.505300    
 H    1.082800       1.925200     -0.5309000    
 H   0.2308000      -2.306200     -0.6957000    
 H   -5.059700      -2.023800      0.7425000    
 H   -6.493800      -1.270900      0.9376000    
 H    2.520000      -2.822400      9.5700003E-02
 H    3.856900       2.491100      0.4267000    
 H    4.909300      -1.549900      0.8825000    
 H    5.828500      0.7611000       1.143100    


%chk=000115776-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115776

0 1
O -1.411189 -1.232458 -1.218251
N -5.939988 -0.900239 1.021504
N 4.837310 -0.608887 0.176163
C -3.752245 0.205835 0.517852
C -3.004776 1.012990 -0.576742
C -1.473779 1.067727 -0.401083
C -5.241059 0.037372 0.116541
C -3.639682 0.848392 1.918842
C -0.764787 -0.255600 -0.729352
C 0.712557 -0.364119 -0.488996
C 2.868052 0.545682 0.222859
C 1.475622 0.711278 0.027812
C 3.475909 -0.719347 -0.110210
C 1.350512 -1.609176 -0.810800
C 2.726501 -1.803279 -0.627479
C 3.922998 1.408748 0.717177
C 5.106661 0.677433 0.675992
H -3.303355 -0.808315 0.550268
H -3.399310 2.050382 -0.586573
H -3.226786 0.565477 -1.565178
H -1.042726 1.844443 -1.067617
H -1.210808 1.380370 0.628258
H -5.746871 1.021677 0.190034
H -5.280036 -0.269234 -0.957436
H -3.935520 1.915982 1.885124
H -2.613343 0.790962 2.327162
H -4.319197 0.325673 2.614541
H 1.002667 1.666975 0.274732
H 0.717932 -2.408548 -1.209640
H -5.569863 -1.855967 0.976363
H -6.961225 -0.885720 0.941503
H 3.197577 -2.759993 -0.878435
H 3.821199 2.436894 1.059448
H 5.527647 -1.345013 0.044154
H 6.116600 0.966205 0.961064


