%chk=000060491.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060491

0 1
 O   -1.326900       1.135500     -0.6118000    
 O    2.513500       2.793800     -0.5089000    
 O    4.523800       1.985000     -0.1577000    
 N   -3.906400      0.3437000     -3.5900000E-02
 N  -0.5961000      -1.048800     -0.1575000    
 N    3.283300       1.836000     -0.2609000    
 C   -2.933400     -0.6588000     -0.4685000    
 C   -3.615500      0.7830000       1.328300    
 C   -5.264600     -0.1920000     -0.1218000    
 C   0.8059000     -0.8968000     -3.8699999E-02
 C   -1.538500     -5.9099998E-02 -0.4291000    
 C    1.605000      -1.994900      0.2373000    
 C    3.547700     -0.5596000      0.1871000    
 C   -4.617300       1.825500       1.794700    
 C   -5.606000     -0.5971000      -1.545600    
 C    1.351100      0.3669000     -0.2041000    
 C    2.984900      -1.825300      0.3509000    
 C    2.730800      0.5366000     -9.0400003E-02
 C    1.029200      -3.361900      0.4176000    
 C    5.029600     -0.4117000      0.3150000    
 H   -2.992500      -1.560800      0.1532000    
 H   -3.077200     -0.9504000      -1.514300    
 H   -3.620700     -6.0100000E-02   2.031700    
 H   -2.630200       1.252400       1.405300    
 H   -5.413700      -1.044500      0.5527000    
 H   -6.003300      0.5712000      0.1428000    
 H  -0.9469000      -1.994800     -3.7000000E-02
 H   -4.761000       2.615100       1.049100    
 H   -5.588800       1.391400       2.050700    
 H   -4.245400       2.305800       2.707200    
 H   -5.349600      0.1890000      -2.264300    
 H   -5.114100      -1.527500      -1.845500    
 H   -6.684400     -0.7747000      -1.628000    
 H   0.7576000       1.239900     -0.4196000    
 H    3.620500      -2.680800      0.5672000    
 H   0.5159000      -3.686800     -0.4935000    
 H    1.805300      -4.105000      0.6323000    
 H   0.3285000      -3.376900       1.259000    
 H    5.492200     -8.7099999E-02 -0.6230000    
 H    5.307000      0.2258000       1.161000    
 H    5.491100      -1.383800      0.5334000    


%chk=000060491-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060491

0 1
O -1.365041 1.099642 -0.430941
O 2.518845 2.888996 -0.437256
O 4.626940 2.066815 -0.649143
N -4.052065 0.134636 0.135664
N -0.554783 -1.048923 0.067746
N 3.360719 1.910237 -0.431229
C -2.971888 -0.781982 -0.220428
C -3.984642 0.609250 1.543240
C -5.391841 -0.352669 -0.277745
C 0.851435 -0.851035 0.067642
C -1.573379 -0.119699 -0.197966
C 1.689818 -1.984339 0.324068
C 3.724584 -0.553272 0.080185
C -4.712376 1.948946 1.760218
C -5.606357 -0.332280 -1.804054
C 1.438326 0.410146 -0.171027
C 3.087046 -1.797134 0.325791
C 2.844801 0.540078 -0.166348
C 1.099712 -3.357349 0.588722
C 5.238547 -0.491679 0.115775
H -2.944944 -1.706887 0.425917
H -3.135709 -1.136379 -1.256461
H -4.379996 -0.162881 2.253217
H -2.918358 0.759546 1.790918
H -5.597434 -1.380716 0.121169
H -6.139053 0.315334 0.184504
H -0.872670 -1.996773 0.282900
H -4.300948 2.707915 1.073933
H -5.800495 1.873100 1.583709
H -4.569034 2.295009 2.800542
H -5.395249 0.676007 -2.199219
H -4.957009 -1.051836 -2.335992
H -6.652453 -0.597258 -2.044687
H 0.812816 1.284584 -0.357187
H 3.724489 -2.665729 0.528089
H 0.495545 -3.719799 -0.267151
H 1.895318 -4.099618 0.760897
H 0.449777 -3.364267 1.486913
H 5.656416 -0.225869 -0.870408
H 5.604348 0.284583 0.809805
H 5.646643 -1.469049 0.426076


