%chk=000014405.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014405

0 1
 O  -0.4819000      -2.818900      0.1644000    
 N   0.5066000     -0.7260000      0.3762000    
 N   -1.497400      0.7982000      -1.166500    
 N    4.079900      -1.680100     -0.2263000    
 C   0.4923000      0.7126000      0.2997000    
 C    1.808200      -1.363000      0.6215000    
 C  -0.4300000       1.430800     -0.4939000    
 C   -2.414600     -1.1100000E-02 -0.4768000    
 C    2.788700      -1.063800     -0.5029000    
 C   -1.979900      -1.091000      0.2957000    
 C  -0.5914000      -1.591100      0.2459000    
 C    1.515600       1.436200      0.9576000    
 C  -0.2778000       2.837100     -0.5930000    
 C    1.634300       2.821100      0.8499000    
 C   -1.936300       1.365600      -2.444300    
 C   0.7373000       3.524000      6.8300001E-02
 C   -3.797900      0.2683000     -0.4906000    
 C   -2.897700      -1.855300       1.040400    
 C   -4.707200     -0.4888000      0.2510000    
 C   -4.255000      -1.548300       1.023800    
 C    2.724300       3.539000       1.570500    
 C    3.939900      -3.130800     -8.4600002E-02
 C    5.040100      -1.364800      -1.285900    
 H    2.184100      -1.070300       1.608300    
 H    1.646200      -2.440400      0.7048000    
 H    2.373900      -1.425000      -1.454600    
 H    2.941000      1.2000000E-02 -0.6290000    
 H    2.239500      0.9417000       1.599400    
 H  -0.9761000       3.430900      -1.179300    
 H   -2.581900       2.240000      -2.304800    
 H   -2.486200      0.6214000      -3.033500    
 H   -1.076200       1.662000      -3.057100    
 H   0.8042000       4.603400     -3.3199999E-02
 H   -4.189800       1.107200      -1.061300    
 H   -2.565300      -2.704200       1.633800    
 H   -5.764700     -0.2424000      0.2281000    
 H   -4.956000      -2.141700       1.602700    
 H    2.516900       3.557300       2.645300    
 H    3.686800       3.044300       1.401700    
 H    2.826700       4.573600       1.226000    
 H    3.469200      -3.405900      0.8643000    
 H    4.927700      -3.607100     -5.1700000E-02
 H    3.383900      -3.583200     -0.9138000    
 H    6.025900      -1.780600      -1.049500    
 H    5.173300     -0.2808000      -1.375600    
 H    4.724000      -1.755900      -2.259800    


%chk=000014405-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014405

0 1
O -0.449663 -2.735683 1.125071
N 0.545809 -0.695875 0.618501
N -1.307654 0.650361 -1.197196
N 4.000719 -1.802441 -0.553401
C 0.515898 0.740353 0.494127
C 1.876899 -1.360702 0.685540
C -0.330474 1.392933 -0.448611
C -2.314748 -0.042292 -0.453138
C 2.633170 -1.245358 -0.657734
C -1.964608 -0.963149 0.581451
C -0.582233 -1.511727 0.794640
C 1.423419 1.515145 1.257117
C -0.193021 2.792317 -0.629512
C 1.557969 2.913326 1.084962
C -1.663596 1.158683 -2.533745
C 0.746721 3.539961 0.109568
C -3.691586 0.166298 -0.747969
C -2.995800 -1.595276 1.323506
C -4.698814 -0.474762 -0.000431
C -4.355438 -1.345206 1.059837
C 2.537700 3.706922 1.932078
C 4.024583 -3.278245 -0.465107
C 4.893157 -1.305996 -1.620665
H 2.503440 -0.928342 1.484205
H 1.673765 -2.410348 0.947801
H 2.028386 -1.740059 -1.460113
H 2.723131 -0.176272 -0.926735
H 2.056660 1.013312 1.996383
H -0.830884 3.305393 -1.355766
H -2.334634 2.045816 -2.522582
H -2.166149 0.357184 -3.100729
H -0.738805 1.435707 -3.066088
H 0.835770 4.618847 -0.062404
H -3.978335 0.850979 -1.551191
H -2.695828 -2.328898 2.078237
H -5.751222 -0.287023 -0.242351
H -5.133672 -1.840563 1.648924
H 2.183604 3.793850 2.977266
H 3.531492 3.223817 1.965167
H 2.670802 4.730318 1.541152
H 3.442081 -3.624960 0.404699
H 5.065952 -3.621228 -0.329766
H 3.609712 -3.776289 -1.378276
H 5.921677 -1.668540 -1.441485
H 4.913280 -0.201693 -1.606612
H 4.588569 -1.634392 -2.647323


