%chk=000094381.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094381

0 1
 O   0.9200000       1.792100     -4.3200001E-02
 O   -1.150300       2.740400     -0.1908000    
 N    5.323400     -0.1499000      0.3123000    
 N   -3.009400     -0.9405000     -0.3873000    
 N   -3.452100       1.068200      0.4548000    
 C    3.920800     -0.2978000      0.3030000    
 C    1.136200     -0.6045000      0.2877000    
 C    6.181900      -1.304200      0.4891000    
 C    5.924800       1.156500      0.1313000    
 C    1.720400      0.6468000      0.1284000    
 C    3.103300      0.8173000      0.1335000    
 C   -1.079300      0.3791000      0.1072000    
 C    3.352100      -1.563000      0.4650000    
 C  -0.3136000     -0.7106000      0.2692000    
 C    1.962900      -1.718000      0.4573000    
 C   -2.502600      0.2378000      8.6099997E-02
 C   -4.376900     -0.8653000     -0.3199000    
 C  -0.4712000       1.727500     -5.6100000E-02
 C   -4.628300      0.3979000      0.2090000    
 C    6.503000      -1.927100     -0.8558000    
 C    5.967600       1.511900      -1.342500    
 C   -5.384900      -1.766000     -0.6655000    
 C   -5.958400      0.8029000      0.4120000    
 C   -6.702800      -1.346300     -0.4570000    
 C   -6.986700     -8.5199997E-02  7.2099999E-02
 H    5.790900      -2.039700       1.199000    
 H    7.130400     -0.9903000      0.9447000    
 H    5.430000       1.933800      0.7241000    
 H    6.957000       1.151100      0.5043000    
 H    3.479400       1.825400      3.3000000E-03
 H    3.930400      -2.472600      0.5807000    
 H  -0.7164000      -1.707700      0.4187000    
 H    1.539800      -2.712100      0.5796000    
 H   -2.495100      -1.728000     -0.7596000    
 H    7.079800      -2.846700     -0.7112000    
 H    7.109700      -1.261300      -1.475200    
 H    5.599600      -2.182800      -1.418200    
 H    6.617300      0.8350000      -1.903600    
 H    4.982600       1.488900      -1.817000    
 H    6.371300       2.522300      -1.467000    
 H   -5.162100      -2.744300      -1.075900    
 H   -6.189300       1.780700      0.8224000    
 H   -7.521200      -2.015200     -0.7118000    
 H   -8.021200      0.2127000      0.2228000    


%chk=000094381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094381

0 1
O 0.934060 1.707711 -0.206727
O -1.113366 2.688560 -0.570232
N 5.394065 -0.100657 0.361955
N -3.172600 -1.013303 -0.588520
N -3.475105 0.980944 0.491540
C 4.015127 -0.291466 0.285414
C 1.155220 -0.696298 0.210486
C 6.318946 -1.244302 0.533474
C 5.986092 1.244120 0.173609
C 1.742621 0.592766 0.020893
C 3.126735 0.804301 0.050381
C -1.104831 0.294920 -0.035642
C 3.431774 -1.602011 0.462688
C -0.272298 -0.801019 0.188077
C 2.048886 -1.784722 0.432496
C -2.566157 0.141623 -0.040619
C -4.555017 -0.898500 -0.397703
C -0.534496 1.630736 -0.283839
C -4.723530 0.358875 0.283384
C 6.591267 -2.046337 -0.761791
C 6.137079 1.676415 -1.304849
C -5.644653 -1.724179 -0.743143
C -6.019482 0.798105 0.641465
C -6.928675 -1.264349 -0.378281
C -7.113042 -0.024758 0.304030
H 5.928087 -1.917031 1.320347
H 7.271887 -0.841471 0.920867
H 5.377594 1.985888 0.724024
H 6.979213 1.239856 0.658166
H 3.482696 1.822905 -0.112765
H 4.071358 -2.471221 0.630752
H -0.723477 -1.780243 0.394351
H 1.635058 -2.789076 0.582667
H -2.692630 -1.736152 -1.121685
H 7.259422 -2.900964 -0.547436
H 7.076631 -1.414613 -1.525792
H 5.654811 -2.440456 -1.192927
H 6.825463 1.005488 -1.847877
H 5.165342 1.664053 -1.827532
H 6.543352 2.703074 -1.360212
H -5.514809 -2.677707 -1.266036
H -6.152070 1.752038 1.160314
H -7.805383 -1.873681 -0.624740
H -8.128364 0.291338 0.566971


