%chk=000029163.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029163

0 1
 O   -2.897300      -1.812300     -0.3605000    
 O    4.603900       1.553000      8.8799998E-02
 N  -0.6857000      0.1544000     -0.3047000    
 N   -3.706900       2.131900      0.6534000    
 C   0.7077000      -1.556600     -3.3500001E-02
 C  -0.6194000      -1.207700     -0.1954000    
 C    1.143200      -2.973200      0.1225000    
 C    1.477100     -0.3592000     -5.6000002E-02
 C   0.5781000      0.6976000     -0.2264000    
 C  -2.2299999E-02  -3.832600      0.6394000    
 C   -1.311100      -3.611800     -0.1672000    
 C   -1.898300      0.9290000     -0.4726000    
 C   -1.720900      -2.141100     -0.2308000    
 C   -2.505800       1.334400      0.8672000    
 C    2.851900     -6.7199998E-02  5.2299999E-02
 C   0.9888000       2.034000     -0.2931000    
 C    3.275900       1.264900     -1.3100000E-02
 C    2.356800       2.297900     -0.1831000    
 C   -4.720500       1.356000     -6.3900001E-02
 C   -3.389200       3.356000     -8.4600002E-02
 C    5.494100      0.4525000      0.2615000    
 H    1.481000      -3.353500     -0.8489000    
 H    1.986200      -3.044100      0.8185000    
 H   0.2585000      -4.891400      0.6107000    
 H  -0.2153000      -3.578700       1.690200    
 H   -2.127800      -4.178600      0.2928000    
 H   -1.181100      -3.969100      -1.195100    
 H   -1.615300       1.794100      -1.080200    
 H   -2.566400      0.3468000      -1.109600    
 H   -2.744700      0.4482000       1.468700    
 H   -1.781200       1.902900       1.464300    
 H    3.520600     -0.9093000      0.1826000    
 H   0.2847000       2.849400     -0.4192000    
 H    2.701600       3.328300     -0.2309000    
 H   -4.894800      0.3884000      0.4202000    
 H   -4.494100       1.187500      -1.121700    
 H   -5.676100       1.892400     -2.6200000E-02
 H   -4.247500       4.036600     -3.5000000E-02
 H   -3.172900       3.198500      -1.146400    
 H   -2.549300       3.890300      0.3740000    
 H    5.477000     -0.2197000     -0.6031000    
 H    5.305500     -7.5099997E-02   1.202700    
 H    6.507000      0.8637000      0.3248000    


%chk=000029163-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029163

0 1
O -2.926864 -1.847128 -0.496701
O 4.732045 1.560171 0.083361
N -0.655321 0.155523 -0.474253
N -3.785525 2.116340 0.589297
C 0.754515 -1.621926 -0.036118
C -0.590371 -1.241339 -0.268013
C 1.160276 -3.051570 0.215823
C 1.546153 -0.427627 -0.091842
C 0.639636 0.665267 -0.354817
C -0.053448 -3.865161 0.734438
C -1.302810 -3.655048 -0.156057
C -1.873800 0.957751 -0.676338
C -1.707917 -2.180885 -0.314544
C -2.545639 1.333110 0.688085
C 2.941882 -0.176654 0.064640
C 1.108065 1.999165 -0.461767
C 3.390634 1.150450 -0.045125
C 2.480532 2.228276 -0.306288
C -4.932287 1.411007 -0.010608
C -3.629202 3.503235 0.126950
C 5.723109 0.518910 0.349841
H 1.539690 -3.512585 -0.721580
H 1.993185 -3.099857 0.943687
H 0.198320 -4.941781 0.773201
H -0.288290 -3.545956 1.768584
H -2.178919 -4.200441 0.237394
H -1.106441 -4.055317 -1.173536
H -1.599229 1.867535 -1.239812
H -2.581594 0.364735 -1.275608
H -2.771167 0.388903 1.217213
H -1.817076 1.898285 1.302403
H 3.629532 -1.004350 0.260456
H 0.429601 2.835669 -0.656273
H 2.897204 3.237548 -0.377868
H -4.981079 0.382292 0.385565
H -4.892068 1.340404 -1.125713
H -5.869173 1.935121 0.256705
H -4.555959 4.068901 0.338278
H -3.421232 3.607309 -0.968717
H -2.803325 3.988441 0.679088
H 5.756014 -0.225198 -0.470708
H 5.516673 0.001608 1.307954
H 6.687369 1.044367 0.412723


