%chk=000004277.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004277

0 1
 O  -5.1000002E-03  -2.100100      0.6892000    
 N    1.150000     -0.3943000     -0.3816000    
 N   -1.148600     -0.3901000     -0.3841000    
 C    2.485400     -0.8644000     -8.6700000E-02
 C   -2.482600     -0.8626000     -8.7700002E-02
 C    3.458400     -0.5017000      -1.213600    
 C    2.973400     -0.3269000       1.262900    
 C   -2.969600     -0.3260000       1.262600    
 C   -3.457900     -0.5017000      -1.213300    
 C    3.774000      0.9935000      -1.255200    
 C    3.289700       1.168000       1.217200    
 C   -3.288900       1.168300       1.217300    
 C   -3.776200      0.9929000      -1.254500    
 C    4.268100       1.502500      9.5600002E-02
 C   -4.269400       1.501000      9.6900001E-02
 C  -6.9999998E-04  -1.058200      3.4899998E-02
 H    2.435500      -1.958300     -1.8500000E-02
 H   -2.431800      -1.956600     -1.9900000E-02
 H    3.051800     -0.8141000      -2.183000    
 H    4.394800      -1.055400      -1.068000    
 H    3.882000     -0.8694000       1.554000    
 H    2.228300     -0.5158000       2.045000    
 H   -2.223400     -0.5135000       2.043900    
 H   -3.876900     -0.8702000       1.554900    
 H   -4.393100      -1.057100      -1.066300    
 H   -3.052100     -0.8136000      -2.183200    
 H    2.884100       1.558100      -1.557100    
 H    4.538100       1.183000      -2.017900    
 H    3.712300       1.482200       2.178400    
 H    2.363400       1.738100       1.077300    
 H   -2.363700       1.740200       1.076000    
 H   -3.710700       1.481900       2.179000    
 H   -4.541500       1.181000      -2.016300    
 H   -2.887600       1.558900      -1.557500    
 H    5.244300       1.054200      0.3185000    
 H    4.418900       2.586800      4.8500001E-02
 H   -5.244400       1.050800      0.3211000    
 H   -4.422400       2.585100      5.0000001E-02
 H    1.039600      0.4972000     -0.8545000    
 H   -1.037200      0.5015000     -0.8565000    


%chk=000004277-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004277

0 1
O 0.000430 -2.015112 0.627363
N 1.178304 -0.278662 -0.411415
N -1.177905 -0.278908 -0.411301
C 2.505117 -0.841815 -0.082119
C -2.504554 -0.842365 -0.081871
C 3.514745 -0.526238 -1.214609
C 3.035716 -0.325104 1.285048
C -3.034917 -0.326189 1.285590
C -3.514486 -0.526556 -1.214025
C 3.904735 0.973184 -1.263717
C 3.414423 1.173419 1.237590
C -3.413860 1.172294 1.238727
C -3.904699 0.972828 -1.262538
C 4.433574 1.460631 0.107743
C -4.433301 1.459741 0.109201
C 0.000283 -0.919129 -0.021821
H 2.353904 -1.933765 -0.006502
H -2.353182 -1.934318 -0.006643
H 3.099569 -0.857373 -2.185679
H 4.430240 -1.123268 -1.031602
H 3.931509 -0.921200 1.556728
H 2.271193 -0.518227 2.059555
H -2.270184 -0.519466 2.059850
H -3.930558 -0.922510 1.557276
H -4.429855 -1.123776 -1.031009
H -3.099483 -0.857304 -2.185299
H 3.028378 1.591584 -1.557306
H 4.666768 1.135045 -2.050274
H 3.827609 1.490378 2.214372
H 2.499620 1.779554 1.071404
H -2.499186 1.778628 1.072551
H -3.826879 1.488855 2.215708
H -4.666930 1.134847 -2.048871
H -3.028494 1.591449 -1.556116
H 5.383769 0.933703 0.334564
H 4.669196 2.541822 0.065320
H -5.383373 0.932608 0.336059
H -4.669081 2.540915 0.067191
H 1.140484 0.607518 -0.915897
H -1.140340 0.607484 -0.915427


