%chk=000058608.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058608

0 1
 O    1.266500      0.4008000       1.099100    
 N  -0.9947000      0.2004000     -0.4671000    
 N   -1.929100      -3.365500      0.1219000    
 N    2.571700      0.4324000     -0.8522000    
 C   -1.011700      -1.245400     -0.6871000    
 C   -1.898000      -1.925200      0.3523000    
 C   -2.186500      0.8195000      -1.045700    
 C   0.2158000      0.7900000      -1.037700    
 C   -2.334100      -4.072700       1.337600    
 C   -2.835000      -3.690700     -0.9809000    
 C   -2.494800       2.147800     -0.4074000    
 C   -3.743700      -3.687300       1.753300    
 C   -2.828300      -5.181100      -1.275400    
 C    1.392400      0.5207000     -0.1155000    
 C   -3.126800       3.147300      -1.147300    
 C   -2.148900       2.378900      0.9241000    
 C   -3.412700       4.377800     -0.5559000    
 C   -2.434900       3.609500       1.515500    
 C   -3.066800       4.608800      0.7753000    
 C    3.878400      0.1920000     -0.3647000    
 C    4.953900      0.1351000      -1.251200    
 C    4.091100      1.2700000E-02   1.002200    
 C    6.241900     -0.1015000     -0.7711000    
 C    5.379400     -0.2237000       1.482300    
 C    6.454700     -0.2808000      0.5956000    
 H  -3.8000001E-03  -1.667700     -0.5741000    
 H   -1.315000      -1.464000      -1.717600    
 H   -1.463000      -1.708300       1.338200    
 H   -2.906900      -1.498600      0.3543000    
 H   -3.082500      0.2069000     -0.8909000    
 H   -2.076300      0.9287000      -2.133400    
 H   0.4005000      0.4186000      -2.053500    
 H   0.1460000       1.883500      -1.099900    
 H   -2.245400      -5.159000       1.230900    
 H   -1.639500      -3.823600       2.150600    
 H   -3.860300      -3.330500     -0.8400000    
 H   -2.480200      -3.207200      -1.897800    
 H   -3.870600      -2.617200       1.938500    
 H   -4.512000      -4.022900       1.051600    
 H   -3.972000      -4.184500       2.704100    
 H   -1.808700      -5.574800      -1.350500    
 H   -3.377600      -5.760700     -0.5274000    
 H   -3.319100      -5.366500      -2.237600    
 H   -3.402800       2.978700      -2.184800    
 H   -1.674100       1.617000       1.536000    
 H    2.510800      0.5590000      -1.860100    
 H   -3.905400       5.155700      -1.131800    
 H   -2.169900       3.788400       2.553500    
 H   -3.290700       5.566500       1.236300    
 H    4.802200      0.2732000      -2.318700    
 H    3.311200      4.3099999E-02   1.749800    
 H    7.079300     -0.1459000      -1.461300    
 H    5.546600     -0.3634000       2.546500    
 H    7.457600     -0.4648000      0.9696000    


%chk=000058608-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058608

0 1
O 0.977231 0.139566 0.967031
N -1.118069 0.185603 -1.009869
N -2.100538 -3.378377 -0.082708
N 2.539299 0.373316 -0.773856
C -1.214320 -1.282672 -1.134311
C -1.887762 -1.922808 0.105739
C -2.299427 0.953124 -1.428186
C 0.175154 0.786404 -1.287108
C -1.819370 -4.197006 1.123277
C -3.371286 -3.688204 -0.782366
C -2.465931 2.280065 -0.685228
C -2.810592 -4.039117 2.310251
C -3.437239 -5.127373 -1.327253
C 1.248992 0.386530 -0.242380
C -3.130019 3.365673 -1.308705
C -2.002818 2.428240 0.646985
C -3.344869 4.575957 -0.610847
C -2.212380 3.639686 1.343178
C -2.886549 4.716216 0.719837
C 3.783013 0.164128 -0.110542
C 4.963392 0.232303 -0.900133
C 3.881867 -0.102702 1.281690
C 6.227499 0.038501 -0.308649
C 5.156502 -0.292760 1.858164
C 6.332967 -0.225131 1.077259
H -0.199993 -1.710982 -1.224399
H -1.761288 -1.580709 -2.059484
H -1.219767 -1.749106 0.967579
H -2.839376 -1.381193 0.329437
H -3.183882 0.319225 -1.218092
H -2.319278 1.150364 -2.530968
H 0.564026 0.561624 -2.317524
H 0.068399 1.887845 -1.225788
H -1.778561 -5.260405 0.821042
H -0.800734 -3.933869 1.465515
H -4.265621 -3.494668 -0.135767
H -3.453156 -2.986865 -1.634942
H -2.854440 -2.990231 2.656782
H -3.834144 -4.352132 2.033408
H -2.486528 -4.664692 3.162970
H -2.556687 -5.335038 -1.960921
H -3.462873 -5.877339 -0.516307
H -4.350745 -5.264227 -1.935024
H -3.481057 3.263703 -2.344140
H -1.469046 1.590576 1.111516
H 2.603403 0.548735 -1.780885
H -3.861637 5.407503 -1.103923
H -1.847608 3.744407 2.371532
H -3.047603 5.655141 1.261847
H 4.890669 0.439238 -1.976201
H 2.971368 -0.157716 1.880682
H 7.128504 0.094248 -0.929484
H 5.226259 -0.497478 2.932492
H 7.314848 -0.375623 1.538277


