%chk=000087115.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087115

0 1
 O    3.415400      -2.293000      0.1042000    
 O   -3.414300      -2.293500     -7.0100002E-02
 N    1.369400      -1.182800      0.3385000    
 N   -1.372500      -1.190300     -0.3483000    
 N    4.701700       1.804200       1.060800    
 N   -4.714300       1.796400      -1.056400    
 C   0.5885000      -2.413600      0.4836000    
 C   0.5896000      5.9500001E-02  0.4556000    
 C  -0.5943000      -2.423200     -0.4805000    
 C  -0.5902000      4.3200001E-02 -0.5130000    
 C    2.751300      -1.259500      0.1575000    
 C   -2.752100      -1.260100     -0.1497000    
 C    3.493900     -2.9000000E-03  1.5100000E-02
 C   -3.493700     -1.3000000E-03 -9.3999999E-03
 C    3.696800      0.5646000      -1.234300    
 C   -3.681200      0.5775000       1.237300    
 C    4.008700      0.6450000       1.122300    
 C   -4.022100      0.6366000      -1.115800    
 C    4.404900       1.756700      -1.338000    
 C   -4.388100       1.770500       1.338900    
 C    4.882200       2.331300     -0.1710000    
 C   -4.879600       2.334600      0.1726000    
 H   0.2351000      -2.446500       1.521200    
 H    1.214800      -3.295600      0.3174000    
 H    1.199300      0.9467000      0.2758000    
 H   0.2304000      0.1099000       1.490700    
 H  -0.2426000      -2.472000      -1.518000    
 H   -1.219700      -3.302600     -0.2984000    
 H   -1.198900      0.9372000     -0.3644000    
 H  -0.2323000      5.6600001E-02  -1.549500    
 H    3.309000      9.0200000E-02  -2.131400    
 H   -3.282300      0.1112000       2.133800    
 H    3.878900      0.2459000       2.123500    
 H   -3.904500      0.2285000      -2.115000    
 H    4.577300       2.221800      -2.301800    
 H   -4.548800       2.244300       2.300600    
 H    5.440400       3.261400     -0.1979000    
 H   -5.437500       3.264800      0.1980000    


%chk=000087115-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087115

0 1
O 3.139148 -2.264038 -0.722630
O -3.146631 -2.260482 0.720041
N 1.410399 -1.073479 0.295827
N -1.407101 -1.074514 -0.285373
N 4.551584 1.997344 0.855383
N -4.538649 2.001188 -0.875520
C 0.617549 -2.314253 0.473128
C 0.623438 0.164298 0.470222
C -0.614789 -2.316607 -0.455467
C -0.620325 0.162785 -0.463235
C 2.683505 -1.162820 -0.271090
C -2.685543 -1.161118 0.269455
C 3.551122 0.070105 -0.292949
C -3.550919 0.073564 0.283009
C 4.384061 0.298808 -1.417603
C -4.392574 0.305024 1.400655
C 3.693180 0.936773 0.823421
C -3.682286 0.939185 -0.835363
C 5.268867 1.396153 -1.405438
C -5.275426 1.403784 1.380029
C 5.312000 2.222613 -0.257230
C -5.307810 2.228967 0.230504
H 0.287902 -2.378335 1.527895
H 1.272387 -3.168625 0.239344
H 1.240553 1.044388 0.235008
H 0.285044 0.243053 1.522767
H -0.284829 -2.387344 -1.509756
H -1.270483 -3.169112 -0.217158
H -1.237866 1.043272 -0.230510
H -0.281651 0.239011 -1.515950
H 4.336597 -0.391793 -2.265541
H -4.353249 -0.384695 2.249721
H 3.122579 0.763484 1.743708
H -3.104053 0.764390 -1.750598
H 5.920107 1.607410 -2.259009
H -5.933229 1.617115 2.228034
H 5.980746 3.089417 -0.210576
H -5.974756 3.096785 0.177347


