%chk=000054975.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054975

0 1
 O    1.974800      -1.443300      0.8105000    
 O    4.481900      -1.326000       2.007100    
 O   -4.666300      0.8330000      0.7025000    
 O   -4.327500     -0.5182000      -1.111300    
 N    3.767200       1.289200     -0.5148000    
 N   -2.620800     -7.2800003E-02  0.4346000    
 C    4.015300      0.6871000      0.7881000    
 C    4.289000     -0.8153000      0.6850000    
 C    3.454200       2.705600     -0.3828000    
 C    3.152900      -1.593000      2.4200000E-02
 C    1.998800       2.889000      3.8100000E-02
 C    3.735600       3.413100      -1.704600    
 C   0.7806000      -1.475200      0.1414000    
 C  -0.3117000     -0.7576000      0.6289000    
 C   0.6564000      -2.225500      -1.027900    
 C   -1.528100     -0.7905000     -5.2900001E-02
 C  -0.5601000      -2.258400      -1.709700    
 C   -1.652200      -1.540800      -1.222100    
 C   -3.905100      2.1299999E-02 -9.5899999E-02
 C   -6.022500       1.031300      0.2866000    
 C   -6.712500       1.946900       1.275100    
 H    3.172000      0.8426000       1.470800    
 H    4.879800       1.162100       1.270600    
 H    5.218000     -0.9879000      0.1297000    
 H    4.103300       3.175100      0.3680000    
 H    4.596900       1.164700      -1.094500    
 H    3.407800      -2.659200      3.5999999E-03
 H    3.027000      -1.232500      -1.003900    
 H    1.314400       2.401000     -0.6656000    
 H    1.801000       2.485800       1.035900    
 H    1.739600       3.953300      6.5700002E-02
 H    3.514400       4.483200      -1.625600    
 H    4.789000       3.314700      -1.990200    
 H    3.124500       3.004400      -2.517400    
 H    3.644200      -1.222300       2.490300    
 H  -0.2056000     -0.1740000       1.540500    
 H    1.471700      -2.823300      -1.424500    
 H   -2.561500      -1.615600      -1.802300    
 H  -0.6581000      -2.848800      -2.616200    
 H   -2.460100      0.4522000       1.291100    
 H   -6.538800      6.5499999E-02  0.2539000    
 H   -6.035400       1.485800     -0.7102000    
 H   -6.691100       1.514200       2.280800    
 H   -6.196100       2.910800       1.332900    
 H   -7.753000       2.120300      0.9872000    


%chk=000054975-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054975

0 1
O 1.615065 -0.652139 0.595888
O 3.672892 -1.155035 2.377169
O -5.263088 0.412257 1.071608
O -4.929502 -0.759407 -0.946709
N 4.691111 1.328565 -0.282255
N -3.152932 -0.154920 0.512473
C 4.147847 0.873042 1.016538
C 3.971930 -0.665584 1.023651
C 4.435018 2.749862 -0.653904
C 2.898437 -1.126824 0.030609
C 2.973790 2.931281 -1.121094
C 5.421016 3.153529 -1.769060
C 0.434357 -0.927614 -0.113996
C -0.751498 -0.449102 0.485176
C 0.390698 -1.625869 -1.345307
C -2.000458 -0.664076 -0.145706
C -0.867012 -1.829056 -1.957218
C -2.065416 -1.361933 -1.383022
C -4.473005 -0.229654 0.096415
C -6.725848 0.433379 0.787569
C -7.389108 1.146891 1.961360
H 3.158858 1.339788 1.172447
H 4.782834 1.144824 1.889986
H 4.930612 -1.146176 0.752949
H 4.607332 3.426177 0.220787
H 5.692452 1.103318 -0.364910
H 2.877895 -2.231114 -0.044536
H 3.080574 -0.662070 -0.956549
H 2.794268 2.335419 -2.034260
H 2.252333 2.598397 -0.353359
H 2.766031 3.994841 -1.341731
H 5.236586 4.191724 -2.096732
H 6.470967 3.088914 -1.423323
H 5.300510 2.486143 -2.642573
H 2.708057 -0.981437 2.537509
H -0.678764 0.088143 1.437691
H 1.300446 -1.999957 -1.821160
H -3.029999 -1.524358 -1.866037
H -0.912207 -2.367690 -2.910289
H -3.012817 0.328557 1.402196
H -7.076562 -0.608446 0.674213
H -6.888960 0.957938 -0.171433
H -7.198770 0.611347 2.907191
H -7.010468 2.178522 2.061478
H -8.481703 1.191601 1.800961


