%chk=000128837.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128837

0 1
 O  -0.7324000     -0.8067000       2.080000    
 O   0.4083000       2.977200       1.589900    
 O  -0.5585000       2.317200     -0.3542000    
 N   0.3960000     -0.2226000      0.1374000    
 N  -0.7589000      -3.372000      0.6462000    
 N    6.994500     -0.5533000      -1.393000    
 N   -6.499800       1.045700      -1.166900    
 C    1.133200      0.8973000      0.6770000    
 C    2.442600       1.151000     -7.1800001E-02
 C   -1.141100      -2.088300      6.1200000E-02
 C   -2.663200      -1.882000      5.4800000E-02
 C    3.457700      3.5999999E-03  7.4000000E-03
 C   -3.093800     -0.5518000     -0.5721000    
 C    4.777600      0.3132000     -0.7071000    
 C  -0.4834000     -0.9886000      0.8899000    
 C   -4.618800     -0.4150000     -0.5882000    
 C    5.762900     -0.8576000     -0.6746000    
 C   0.2236000       2.105500      0.5635000    
 C   -5.046500      0.9271000      -1.179500    
 H    1.325200      0.7008000       1.738400    
 H    2.227700       1.358600      -1.128800    
 H    2.908700       2.062100      0.3260000    
 H  -0.7725000      -2.064800     -0.9704000    
 H   -3.132500      -2.705400     -0.4992000    
 H   -3.053000      -1.932900       1.080400    
 H    3.663900     -0.2223000       1.060700    
 H    3.019000     -0.9006000     -0.4315000    
 H   -2.668600      0.2858000     -8.0000004E-03
 H   -2.706500     -0.4851000      -1.595800    
 H   0.4826000     -0.4025000     -0.8586000    
 H    4.562800      0.5779000      -1.750400    
 H    5.239900       1.194500     -0.2450000    
 H   -5.002600     -0.5086000      0.4358000    
 H   -5.053000      -1.236300      -1.172200    
 H    5.299700      -1.744700      -1.120800    
 H    6.009300      -1.103500      0.3640000    
 H   -4.616000       1.753400     -0.6038000    
 H   -4.687600       1.022000      -2.209900    
 H   -1.183400      -4.127500      0.1088000    
 H   -1.148000      -3.451000       1.585500    
 H    7.595500      -1.376300      -1.397900    
 H    6.780800     -0.3491000      -2.368300    
 H   -6.910800      0.2738000      -1.690900    
 H   -6.843000      0.9491000     -0.2119000    
 H  -0.1641000       3.769200       1.503800    


%chk=000128837-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128837

0 1
O 0.285685 -1.288475 1.260672
O 0.696656 3.581461 0.558711
O -0.566882 2.711406 -1.185633
N 0.226328 0.138948 -0.576008
N -0.366834 -3.362504 -0.511689
N 6.946441 -1.012293 -0.287537
N -6.760993 0.882204 -0.083367
C 0.952070 1.227909 0.087609
C 2.462906 1.295957 -0.307881
C -0.967790 -2.029943 -0.714502
C -2.453225 -1.921081 -0.237274
C 3.240457 0.026064 0.096508
C -3.146300 -0.578468 -0.562752
C 4.732751 0.116165 -0.291101
C -0.095198 -1.035309 0.073765
C -4.638123 -0.559931 -0.156455
C 5.527749 -1.144147 0.107559
C 0.261736 2.542396 -0.261685
C -5.336200 0.793532 -0.463351
H 0.886033 1.051159 1.177769
H 2.541998 1.455026 -1.402711
H 2.903703 2.182714 0.186033
H -0.930929 -1.776281 -1.794644
H -3.015745 -2.746995 -0.721058
H -2.477813 -2.109393 0.854592
H 3.143662 -0.130419 1.189170
H 2.780964 -0.859661 -0.383568
H -2.622339 0.252404 -0.048542
H -3.063131 -0.369695 -1.651293
H -0.165984 0.334256 -1.501042
H 4.820824 0.269280 -1.388572
H 5.209399 0.992350 0.189761
H -4.728474 -0.773979 0.929304
H -5.179873 -1.373807 -0.683419
H 5.017108 -2.040002 -0.324858
H 5.490095 -1.258238 1.208102
H -4.792424 1.608475 0.053264
H -5.256058 1.009003 -1.546859
H -0.965122 -4.135367 -0.820153
H -0.030057 -3.479746 0.452286
H 7.564165 -1.727032 0.109647
H 7.082522 -0.914792 -1.299542
H -7.370777 0.241922 -0.602451
H -6.925570 0.819525 0.926699
H 0.256088 4.431899 0.286402


