%chk=000077274.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077274

0 1
 O   0.7322000      0.9224000      -2.698900    
 N   -2.872500     -1.0100000E-02 -0.2361000    
 N    1.278100      -1.291100      -2.642300    
 C    1.024800     -0.1056000     -0.4734000    
 C   -1.546400      0.4583000     -0.6434000    
 C  -0.4633000     -0.4909000     -9.8700002E-02
 C   -2.975600     -2.6000000E-03   1.227100    
 C   -3.933100      0.7330000     -0.9185000    
 C   -4.367200     -0.2047000       1.834400    
 C   -5.109600     -0.1895000      -1.250000    
 C   -5.238900      -1.223700       1.107800    
 C   -5.984900     -0.6033000     -7.0799999E-02
 C    1.471900       1.261500      0.1179000    
 C    2.023600      -1.175000      6.1999999E-02
 C    1.017500     -7.6300003E-02  -2.037700    
 C    2.364300       2.001400     -0.6011000    
 C    3.341000      -1.019800     -0.2502000    
 C   0.9435000       1.636200       1.318500    
 C    1.515000      -2.195700      0.8081000    
 C    2.765400       3.227700     -7.1099997E-02
 C    4.235400      -1.977000      0.2291000    
 C    1.344400       2.862700       1.848500    
 C    2.409500      -3.152800       1.287500    
 C    2.255400       3.658300       1.153600    
 C    3.769500      -3.043300      0.9979000    
 H   -1.378400       1.492400     -0.3224000    
 H   -1.503100      0.4443000      -1.737100    
 H  -0.5427000     -0.5724000      0.9858000    
 H  -0.6938000      -1.484300     -0.5136000    
 H   -2.561500      0.9223000       1.650100    
 H   -2.387100     -0.8363000       1.625100    
 H   -3.570800       1.112500      -1.883200    
 H   -4.254500       1.616200     -0.3529000    
 H   -4.889000      0.7588000       1.892200    
 H   -4.233900     -0.5358000       2.872500    
 H   -4.735800      -1.090600      -1.754300    
 H   -5.750200      0.3183000      -1.982500    
 H   -5.990500      -1.595100       1.815600    
 H   -4.652200      -2.092500      0.7883000    
 H   -6.726800      -1.325900     -0.4331000    
 H   -6.554600      0.2680000      0.2761000    
 H    2.794900       1.698100      -1.547800    
 H    3.733800     -0.2277000     -0.8730000    
 H   0.2576000       1.039900       1.904400    
 H   0.4794000      -2.350100       1.073400    
 H    1.434800      -2.152800      -2.131500    
 H    1.279100      -1.369100      -3.654100    
 H    3.477500       3.846100     -0.6099000    
 H    5.293400      -1.896900     -3.1999999E-03
 H   0.9527000       3.195600       2.805300    
 H    2.048100      -3.984300       1.885800    
 H    2.569300       4.612200       1.567400    
 H    4.465500      -3.789700       1.369500    


%chk=000077274-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077274

0 1
O 0.384458 0.508352 -2.836052
N -2.882359 0.243732 -0.059517
N 1.657670 -1.399006 -2.652883
C 1.004260 -0.215636 -0.531969
C -1.499637 0.642362 -0.422958
C -0.487199 -0.476061 -0.079144
C -3.119810 0.298440 1.402470
C -3.952017 0.815546 -0.917322
C -4.577104 0.024718 1.841617
C -5.003291 -0.244951 -1.331801
C -5.279542 -1.145401 1.105654
C -5.966144 -0.699563 -0.210304
C 1.441043 1.189239 -0.030365
C 1.956819 -1.282382 0.072913
C 1.004775 -0.317672 -2.096323
C 1.719729 2.290100 -0.877352
C 3.359816 -1.041700 0.078535
C 1.558452 1.375302 1.374456
C 1.495198 -2.527569 0.574766
C 2.112164 3.536347 -0.333189
C 4.265201 -2.003514 0.573080
C 1.940531 2.618497 1.918012
C 2.400566 -3.492775 1.076446
C 2.222985 3.710384 1.063366
C 3.789345 -3.237580 1.077309
H -1.192846 1.587799 0.087369
H -1.453746 0.829221 -1.507840
H -0.468736 -0.635002 1.016172
H -0.863418 -1.409254 -0.539879
H -2.807402 1.291359 1.823603
H -2.466135 -0.459604 1.879681
H -3.475101 1.199685 -1.837870
H -4.458776 1.689117 -0.441475
H -5.190241 0.939260 1.714816
H -4.551242 -0.173950 2.931606
H -4.443431 -1.118283 -1.719068
H -5.606469 0.158319 -2.172580
H -6.053186 -1.577196 1.771790
H -4.546437 -1.948875 0.895868
H -6.592154 -1.529426 -0.597148
H -6.664497 0.130225 0.030286
H 1.604485 2.186549 -1.959074
H 3.737895 -0.084106 -0.296669
H 1.362445 0.532165 2.048067
H 0.425348 -2.754548 0.582951
H 2.185397 -2.063046 -2.088365
H 1.615710 -1.506905 -3.666406
H 2.323875 4.373686 -1.008181
H 5.340063 -1.790067 0.568795
H 2.022598 2.734372 3.004849
H 2.017110 -4.443251 1.464736
H 2.523980 4.677991 1.480570
H 4.490202 -3.984144 1.467054


