%chk=000022203.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022203

0 1
 O    2.396600     -0.5688000     -0.8698000    
 O  -0.1807000      0.3747000     -0.6481000    
 O   -1.689700       2.068900     -0.8840000    
 N    6.593700       1.680700      4.3800000E-02
 N   -6.551300       1.411200      0.2897000    
 C    4.477500      0.5464000     -0.4364000    
 C    5.906200      0.3956000      7.5900003E-02
 C    3.726100     -0.7774000     -0.3941000    
 C   0.1107000     -0.9426000     -0.2483000    
 C    1.426500      -1.383400     -0.3751000    
 C  -0.8909000      -1.763300      0.2558000    
 C   -2.527700      1.7600000E-02 -1.7200001E-02
 C   -2.243100      -1.239200      0.3568000    
 C    1.744100      -2.682600      1.4300000E-02
 C  -0.5647000      -3.065100      0.6439000    
 C    7.955200       1.550400      0.5661000    
 C    5.850200       2.682700      0.8097000    
 C   0.7507000      -3.522100      0.5229000    
 C   -1.462300      0.9104000     -0.5502000    
 C   -3.918100      0.4979000      8.9100003E-02
 C   -4.357300       1.107100       1.258700    
 C   -4.792400      0.3444000     -0.9804000    
 C   -5.671800       1.542700       1.308000    
 C   -6.087400      0.8140000     -0.8310000    
 H    3.888200       1.247700      0.1644000    
 H    4.470800      0.9386000      -1.461500    
 H    5.892900     -2.0099999E-02   1.092300    
 H    6.437000     -0.3222000     -0.5619000    
 H    3.730200      -1.135000      0.6439000    
 H    4.223200      -1.513200      -1.036700    
 H   -3.011500      -1.903500      0.7424000    
 H    2.744500      -3.092800     -8.6800002E-02
 H   -1.323600      -3.735200       1.040100    
 H    8.493600       2.501000      0.4811000    
 H    8.522600      0.8172000     -1.7899999E-02
 H    7.967300       1.238800       1.617000    
 H    6.455300       3.588900      0.9388000    
 H    5.572300       2.328700       1.809300    
 H    4.956100       3.023000      0.2782000    
 H   0.9993000      -4.537300      0.8197000    
 H   -3.703000       1.245300       2.113300    
 H   -4.484700     -0.1250000      -1.909200    
 H   -6.064100       2.024800       2.197300    
 H   -6.809000      0.7190000      -1.635800    


%chk=000022203-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022203

0 1
O 2.292349 -0.228576 0.143155
O -0.298819 0.464447 -0.066949
O -1.761845 2.161113 -0.528826
N 6.846632 1.609624 -0.304648
N -6.927704 1.176555 -0.266836
C 4.511464 0.700998 -0.033786
C 6.023427 0.485479 0.195449
C 3.724905 -0.577219 0.260378
C -0.012024 -0.858315 0.258361
C 1.360151 -1.233991 0.367982
C -1.054048 -1.801022 0.468045
C -2.738362 -0.017261 0.032963
C -2.411965 -1.330721 0.340597
C 1.661425 -2.576899 0.691634
C -0.722282 -3.151194 0.789376
C 8.284631 1.269846 -0.313883
C 6.590040 2.883141 0.399404
C 0.622886 -3.524804 0.898785
C -1.653631 0.960278 -0.215282
C -4.156546 0.424799 -0.062115
C -5.167466 -0.221155 0.705587
C -4.580152 1.475110 -0.922439
C -6.512709 0.177516 0.570090
C -5.951913 1.803610 -0.990023
H 4.119559 1.503064 0.616799
H 4.344834 1.009885 -1.080947
H 6.207342 0.289970 1.287844
H 6.346155 -0.424182 -0.350332
H 3.928555 -0.948870 1.287105
H 3.969824 -1.378898 -0.467227
H -3.216076 -2.062982 0.477441
H 2.702317 -2.898287 0.784016
H -1.524539 -3.879400 0.948509
H 8.857318 2.095893 -0.771712
H 8.450315 0.362702 -0.922513
H 8.706202 1.083855 0.707681
H 7.232450 3.672148 -0.029664
H 6.797948 2.826796 1.499400
H 5.541795 3.196434 0.262439
H 0.888341 -4.557474 1.146296
H -4.914130 -1.004483 1.427891
H -3.855733 2.032086 -1.519179
H -7.299616 -0.308950 1.157726
H -6.293803 2.608233 -1.650494


