%chk=000048267.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048267

0 1
 O  -0.1625000       1.258900      5.9500001E-02
 O    1.642200       2.259900     -0.9604000    
 N   -6.982400     -0.1803000      0.6116000    
 C    1.955100      0.2764000      0.4677000    
 C    1.536200      -1.114500      0.1292000    
 C    3.470200      0.4947000      0.3470000    
 C   -2.456400       1.963300     -7.0400000E-02
 C   -2.916300      0.5757000     -0.5143000    
 C   -1.027000       2.246700     -0.5107000    
 C    1.164600       1.384300     -0.2499000    
 C   -4.346000      0.3093000     -0.1189000    
 C    1.670600      -2.132500       1.073200    
 C    4.127500     -6.2300000E-02 -0.7226000    
 C    1.009700      -1.397100      -1.131300    
 C    4.102400       1.238000       1.313600    
 C    1.278700      -3.433300      0.7568000    
 C    5.503800      0.1361000     -0.8325000    
 C   0.6177000      -2.698000      -1.447500    
 C    5.478700       1.436300       1.203600    
 C   -4.617900     -0.2693000       1.106900    
 C   -5.367900      0.6477000     -0.9862000    
 C   0.7523000      -3.716100     -0.5034000    
 C    6.179300      0.8855000      0.1305000    
 C   -5.948100     -0.4927000       1.424100    
 C   -6.664500      0.3831000     -0.5755000    
 H    1.703200      0.4295000       1.529900    
 H   -2.515600       2.028100       1.023500    
 H   -3.119400       2.735900     -0.4778000    
 H   -2.274000     -0.2032000     -8.3499998E-02
 H   -2.813900      0.4751000      -1.602700    
 H  -0.7252000       3.240200     -0.1599000    
 H  -0.9526000       2.212100      -1.603900    
 H    2.080100      -1.926900       2.058700    
 H    3.629700     -0.6311000      -1.499100    
 H   0.9049000     -0.6289000      -1.892300    
 H    3.564300       1.672500       2.150000    
 H    1.383900      -4.226100       1.491700    
 H    6.048900     -0.2884000      -1.670600    
 H   0.2103000      -2.919000      -2.429900    
 H    6.004800       2.020700       1.952800    
 H   -3.832000     -0.5407000       1.802800    
 H   -5.177400       1.104000      -1.951000    
 H   0.4479000      -4.729000     -0.7500000    
 H    7.250700       1.041300      4.4199999E-02
 H   -6.225000     -0.9430000       2.371600    
 H   -7.509200      0.6265000      -1.211700    


%chk=000048267-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048267

0 1
O -0.352880 0.748628 -0.515591
O 1.243317 0.677415 -2.204888
N -6.928153 1.676106 1.971850
C 1.637332 -0.520020 -0.052430
C 1.939890 -1.931394 -0.585594
C 2.905787 0.234821 0.395738
C -2.474138 1.934357 -0.607828
C -3.335554 0.667321 -0.343140
C -1.193422 1.632870 -1.384161
C 0.866872 0.340752 -1.058734
C -4.586012 0.988884 0.455262
C 1.971377 -3.001494 0.345320
C 4.011665 0.402799 -0.474624
C 2.226869 -2.201127 -1.947802
C 2.965776 0.782526 1.700806
C 2.287806 -4.313150 -0.070093
C 5.157668 1.104561 -0.042044
C 2.539198 -3.515570 -2.364001
C 4.114559 1.482322 2.135767
C -4.546675 1.107543 1.868782
C -5.834733 1.223935 -0.174155
C 2.573963 -4.575413 -1.430017
C 5.214969 1.645335 1.264221
C -5.721950 1.447409 2.574643
C -6.961711 1.558847 0.610488
H 0.983007 -0.621168 0.830267
H -2.215846 2.417088 0.353284
H -3.064076 2.670905 -1.188147
H -2.711415 -0.066849 0.198386
H -3.610913 0.211949 -1.314048
H -0.613913 2.546373 -1.608208
H -1.388611 1.101174 -2.333998
H 1.754696 -2.804019 1.402591
H 3.975580 -0.012484 -1.486808
H 2.192924 -1.387989 -2.680283
H 2.111507 0.661962 2.378681
H 2.308545 -5.127151 0.663275
H 6.007295 1.228943 -0.722836
H 2.755488 -3.710292 -3.420631
H 4.149483 1.897371 3.149349
H -3.613588 0.929540 2.416008
H -5.933823 1.141119 -1.262786
H 2.817934 -5.592587 -1.756327
H 6.107011 2.186940 1.598293
H -5.712540 1.540110 3.666916
H -7.936164 1.740203 0.142147


