%chk=000026876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026876

0 1
 O    2.835300       1.584900       1.940500    
 O    1.832000      -1.834100     -0.4637000    
 O  -0.1487000       2.629600      -1.900000    
 O   -1.454900      -1.012800       1.794300    
 O    2.111800      -4.117600     -0.3795000    
 N    4.884600       1.081700     -0.1001000    
 N    1.883400       1.375100     -0.2404000    
 N   -3.496700     -1.5100000E-02  0.3160000    
 N    2.181000      -2.985100      -2.379400    
 C    3.820600      0.1542000      0.2861000    
 C    2.546600      0.6697000      0.8840000    
 C    3.930000      0.6689000      -1.113100    
 C    2.727700       1.511100      -1.423200    
 C    1.449500     -0.3417000       1.362200    
 C   0.5292000       1.135100     -0.2158000    
 C   0.2091000      0.2132000      0.6898000    
 C    1.677400      -1.792300      0.9426000    
 C  -0.4656000       1.780400      -1.074400    
 C   -1.176800     -0.1931000      0.9246000    
 C    3.312800      0.9083000       3.092800    
 C   -1.890700       1.351600     -0.8763000    
 C   -2.230900      0.4346000      5.6200001E-02
 C   -2.868000       2.035600      -1.795200    
 C    2.047000      -3.071000      -1.015700    
 C   -4.303900     -0.7028000     -0.6550000    
 C   -5.636500      -1.130500     -4.5800000E-02
 C   -6.479100      5.7999998E-02  0.4239000    
 C   -7.826100     -0.3956000      0.9647000    
 H    4.149700     -0.8335000      0.5592000    
 H    4.277600      2.8100001E-02  -1.907800    
 H    5.761100      0.5746000     -0.2180000    
 H    2.224800       1.128800      -2.318000    
 H    3.000500       2.558700      -1.584700    
 H    1.275800     -0.3170000       2.440800    
 H    2.570900      -2.192800       1.435200    
 H   0.8228000      -2.414600       1.234500    
 H    3.858600     -1.4800000E-02   2.875100    
 H    2.490800      0.7103000       3.786500    
 H    4.000200       1.585800       3.609300    
 H   -3.889000       2.023800      -1.403400    
 H   -2.859600       1.560800      -2.781300    
 H   -2.616100       3.094600      -1.920100    
 H   -3.618800     -0.3454000       1.271100    
 H   -3.774400      -1.598400      -1.002500    
 H   -4.500300     -8.5800000E-02  -1.536500    
 H   -6.197400      -1.702100     -0.7952000    
 H   -5.456600      -1.805600      0.8004000    
 H    2.345700      -3.809200      -2.947500    
 H    2.120900      -2.093800      -2.860300    
 H   -5.953900      0.6139000       1.208600    
 H   -6.642100      0.7499000     -0.4106000    
 H   -7.699300      -1.066400       1.820500    
 H   -8.412700      0.4679000       1.293700    
 H   -8.400300     -0.9231000      0.1963000    


%chk=000026876-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026876

0 1
O 2.268051 1.435565 2.063462
O 1.655429 -2.282619 -0.531420
O 0.041539 2.285444 -2.333565
O -1.837403 -1.529717 1.191980
O 3.831161 -3.167705 -0.238600
N 4.677151 1.163676 0.473429
N 1.707875 1.192264 -0.210740
N -3.576339 -0.410753 -0.392335
N 2.783051 -3.059845 -2.335249
C 3.655548 0.024942 0.481854
C 2.255868 0.450084 0.965596
C 3.950384 0.781164 -0.804765
C 2.756232 1.694853 -1.129458
C 1.157381 -0.641711 1.272368
C 0.396881 0.872005 -0.416911
C -0.028695 -0.116713 0.470192
C 1.478715 -2.110272 0.935341
C -0.476005 1.460039 -1.487729
C -1.366607 -0.581238 0.448121
C 3.079027 1.033944 3.217144
C -1.871427 1.044266 -1.507902
C -2.319274 0.094727 -0.569138
C -2.731688 1.688086 -2.584816
C 2.850621 -2.872994 -0.973324
C -4.848176 -0.122220 -1.072500
C -6.038275 -0.574307 -0.199221
C -6.199139 0.234581 1.109296
C -7.393193 -0.250753 1.958147
H 3.998546 -1.002835 0.625558
H 4.504528 0.308893 -1.621674
H 5.638730 0.767452 0.478950
H 2.404518 1.619351 -2.169481
H 2.995206 2.749458 -0.909250
H 0.948706 -0.614889 2.358957
H 2.386811 -2.474405 1.448439
H 0.610231 -2.732020 1.210007
H 4.150577 0.990965 2.949839
H 2.753951 0.058234 3.637637
H 2.918213 1.820429 3.970594
H -3.389959 2.481094 -2.180974
H -3.360919 0.958037 -3.121690
H -2.061352 2.171845 -3.314604
H -3.576349 -1.151782 0.334933
H -4.886701 -0.647181 -2.049740
H -4.924008 0.959362 -1.275351
H -6.961641 -0.481722 -0.804466
H -5.931356 -1.653524 0.039436
H 3.570991 -3.491326 -2.809590
H 1.935974 -2.817067 -2.844106
H -5.267878 0.168906 1.705152
H -6.331038 1.306325 0.856906
H -7.265119 -1.308600 2.255596
H -7.498406 0.347706 2.881020
H -8.341946 -0.172500 1.394046


