%chk=000096836.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096836

0 1
 P  -0.9259000      4.3600000E-02  2.8600000E-02
 O   -1.562200     -0.9422000     -0.9257000    
 N   -1.174200     -0.3340000       1.632100    
 N   -1.539800       1.586400     -0.1071000    
 N   0.7372000      0.1904000     -0.1587000    
 C  -0.7287000      -1.651400       2.058400    
 C   -2.189000      -1.338500       1.909700    
 C   -1.461100       2.195400      -1.425700    
 C   -2.772600       1.726600     -0.8665000    
 C    1.446000       1.037600      0.8072000    
 C    1.501600      -1.049400     -0.3376000    
 C    2.824500       1.380800      0.3328000    
 C   0.8380000      -1.970400      -1.314600    
 C    3.942900       1.075400       1.000500    
 C    1.063400      -1.950300      -2.633300    
 H  -0.3230000      -2.351500       1.345800    
 H  -0.3202000      -1.706400       3.058000    
 H   -2.766700      -1.182000       2.810900    
 H   -2.731400      -1.778500       1.085600    
 H   -1.264600       3.258400      -1.440000    
 H   -1.007100       1.619500      -2.220400    
 H   -3.230700      0.8466000      -1.293500    
 H   -3.463000       2.475200     -0.5013000    
 H    1.474300      0.5620000       1.795400    
 H   0.9093000       1.984600      0.9333000    
 H    1.648100      -1.581300      0.6090000    
 H    2.505000     -0.8452000     -0.7306000    
 H    2.912400       1.922100     -0.6064000    
 H   0.1862000      -2.745800     -0.9201000    
 H    4.912700       1.357600      0.6056000    
 H    3.912400      0.5415000       1.943800    
 H   0.5765000      -2.667200      -3.285200    
 H    1.729200      -1.221700      -3.082500    


%chk=000096836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096836

0 1
P -0.987486 -0.392920 0.278071
O -1.887766 -1.451520 -0.540322
N -1.171114 -0.376201 2.059906
N -1.295293 1.344281 -0.066918
N 0.707642 -0.609091 0.033060
C -1.618284 -1.668542 2.714272
C -2.564864 -0.483970 2.644195
C -1.681722 1.690339 -1.493913
C -2.722070 1.750980 -0.392431
C 1.695212 0.209071 0.786229
C 1.179804 -1.687964 -0.865810
C 2.080990 1.508120 0.097030
C 2.015691 -1.190883 -2.029931
C 3.351226 1.871875 -0.204192
C 3.217512 -1.711035 -2.381520
H -1.841113 -2.521554 2.060544
H -1.097527 -1.899747 3.648008
H -2.730200 0.143616 3.524859
H -3.414065 -0.572292 1.954707
H -1.222187 2.610044 -1.867701
H -1.772996 0.869333 -2.216490
H -3.490650 0.967795 -0.403768
H -3.020876 2.713467 0.032873
H 2.592986 -0.415797 0.955356
H 1.256160 0.436763 1.777414
H 0.273153 -2.200643 -1.247655
H 1.761551 -2.433732 -0.284521
H 1.236652 2.177563 -0.120616
H 1.574951 -0.369021 -2.612869
H 3.578813 2.837441 -0.670673
H 4.203138 1.210552 -0.000043
H 3.770596 -1.345600 -3.253551
H 3.681637 -2.522828 -1.806099


