%chk=000131889.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131889

0 1
 O    4.529300     -0.1263000      0.7429000    
 O  -0.4209000      -2.193800     -0.8369000    
 O   -4.715000     -0.4019000      0.3304000    
 O   -3.294100      -2.078700     -0.3540000    
 N   0.2521000       3.109000     -0.3927000    
 N   -3.007200       1.383200     -0.4577000    
 C  -0.2766000      0.9694000     -4.8400000E-02
 C    1.139100       1.121000      9.4400004E-02
 C  -0.7994000       2.226000     -0.3519000    
 C    1.438300       2.466000     -0.1261000    
 C   -1.161300     -0.1158000      5.1899999E-02
 C    2.195900      0.2349000      0.3914000    
 C   -2.504200      0.1629000     -0.1638000    
 C    2.742000       2.971500     -6.4199999E-02
 C  -0.7186000      -1.506300      0.3712000    
 C   -2.157700       2.431700     -0.5558000    
 C    3.504900      0.7256000      0.4562000    
 C    3.771600       2.074100      0.2313000    
 C   -3.507000     -0.8909000     -8.3499998E-02
 C    4.377200      -1.483400      0.3320000    
 C    5.752800      -2.070800      5.6200001E-02
 C   6.5000001E-03  -3.525900     -0.5871000    
 C    5.668400      -3.515600     -0.4023000    
 C   -5.785400      -1.345000      0.4503000    
 C   -7.030600     -0.6209000      0.9162000    
 H   0.1665000       4.096200     -0.5915000    
 H    1.990000     -0.8096000      0.5779000    
 H    2.950400       4.021600     -0.2393000    
 H   -1.452600      -2.054100      0.9723000    
 H   0.1612000      -1.487900       1.017300    
 H   -2.586600       3.396600     -0.7918000    
 H    4.793800       2.441400      0.2849000    
 H    3.881400      -2.046400       1.131400    
 H    3.788700      -1.562100     -0.5916000    
 H    6.369900      -2.002000      0.9602000    
 H    6.264700      -1.468900     -0.7042000    
 H    5.191500      -4.141400      0.3588000    
 H    6.670800      -3.913200     -0.5894000    
 H    5.091300      -3.600800      -1.328500    
 H   0.9205000      -3.528500      1.4800000E-02
 H   0.2197000      -4.004300      -1.546700    
 H  -0.7809000      -4.093300     -8.1500001E-02
 H   -5.969400      -1.811800     -0.5236000    
 H   -5.510200      -2.116800       1.177400    
 H   -7.870600      -1.313600       1.018700    
 H   -6.854400     -0.1332000       1.880700    
 H   -7.306100      0.1669000      0.2074000    


%chk=000131889-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131889

0 1
O 4.736981 -0.110007 0.130210
O 0.299205 -2.187133 -0.504096
O -4.765803 -0.571940 0.648150
O -3.428757 -2.218788 -0.297110
N 0.203829 3.117132 -0.450864
N -3.073433 1.321666 -0.282921
C -0.273031 0.884305 -0.121487
C 1.178527 1.050663 -0.098273
C -0.832783 2.191006 -0.357301
C 1.435377 2.450133 -0.290300
C -1.156198 -0.215040 0.071420
C 2.262760 0.145303 0.035490
C -2.553331 0.066752 -0.034433
C 2.747648 2.969706 -0.312864
C -0.596016 -1.569548 0.492224
C -2.231256 2.367842 -0.437542
C 3.573483 0.668736 0.014478
C 3.812043 2.067023 -0.149048
C -3.584312 -1.023341 0.077671
C 4.568212 -1.567641 0.287101
C 5.969035 -2.174983 0.386758
C -0.396599 -2.591967 -1.733667
C 5.913195 -3.709454 0.554714
C -5.876115 -1.571435 0.716791
C -7.060640 -0.856859 1.358573
H 0.090245 4.116723 -0.602295
H 2.061010 -0.926875 0.084088
H 2.942909 4.037294 -0.457403
H -1.405167 -2.272947 0.748671
H 0.057459 -1.426380 1.372619
H -2.689311 3.346122 -0.625282
H 4.850464 2.411788 -0.160449
H 3.975767 -1.776233 1.202880
H 4.016599 -1.975709 -0.585437
H 6.498357 -1.714649 1.241913
H 6.538231 -1.910050 -0.523880
H 5.371204 -3.995405 1.475712
H 6.930927 -4.133318 0.618786
H 5.401538 -4.189845 -0.300259
H -1.257287 -3.248240 -1.505195
H 0.352943 -3.130525 -2.335243
H -0.764504 -1.712325 -2.298568
H -6.093750 -1.919225 -0.309581
H -5.530610 -2.440313 1.306537
H -7.920868 -1.547343 1.431924
H -6.806060 -0.506959 2.373517
H -7.362418 0.017084 0.756970


