%chk=000086105.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086105

0 1
 N   0.2016000      0.5287000      -1.125100    
 C    1.790100      0.9866000      0.7689000    
 C   -2.941400      -1.260100      0.2173000    
 C    1.165500       1.471800     -0.5568000    
 C   -1.788200     -0.8437000     -0.7245000    
 C  -0.8400000      0.2118000     -0.1523000    
 C    2.503300     -0.3824000      0.6509000    
 C   -3.980000     -0.1402000      0.4604000    
 C    2.778500       2.007800       1.381700    
 C   -2.457200      -1.794300       1.584300    
 C    3.721500     -0.4345000     -0.2786000    
 C   -4.625300      0.3979000     -0.8188000    
 C  -0.3870000       1.077100      -2.347400    
 C    4.322600      -1.833300     -0.4184000    
 C    2.167400       3.376900       1.645800    
 C   -1.512100      -2.983200       1.487000    
 C   -5.703200       1.425000     -0.5060000    
 C    5.584000      -1.812000      -1.268300    
 H    1.007500      0.8859000       1.529800    
 H   -3.471600      -2.083400     -0.2823000    
 H    1.967100       1.663400      -1.280300    
 H   0.6645000       2.433300     -0.3882000    
 H   -2.243800     -0.5210000      -1.663600    
 H   -1.207600      -1.739200     -0.9838000    
 H   -1.393600       1.111400      0.1421000    
 H  -0.4160000     -0.2290000      0.7498000    
 H    2.821600     -0.6964000       1.654100    
 H    1.782100      -1.141800      0.3250000    
 H   -3.516100      0.6878000       1.010200    
 H   -4.773100     -0.5333000       1.110100    
 H    3.638800       2.154400      0.7196000    
 H    3.166400       1.612500       2.328800    
 H   -1.982500     -0.9970000       2.167700    
 H   -3.332700      -2.112700       2.165200    
 H    3.444000     -7.4900001E-02  -1.275600    
 H    4.499700      0.2381000      9.8700002E-02
 H   -3.875800      0.8800000      -1.454500    
 H   -5.065200     -0.4263000      -1.391600    
 H  -0.8758000      0.3053000      -2.949200    
 H   0.3967000       1.481000      -3.000400    
 H   -1.098300       1.886600      -2.146700    
 H    4.565000      -2.233800      0.5726000    
 H    3.588300      -2.509000     -0.8717000    
 H    1.935600       3.902300      0.7148000    
 H    1.251300       3.292400       2.238600    
 H    2.874400       3.999800       2.203400    
 H  -0.5533000      -2.703400       1.041500    
 H   -1.306300      -3.380400       2.486300    
 H   -1.952500      -3.786600      0.8883000    
 H   -5.286500       2.276700      4.1200001E-02
 H   -6.148400       1.801300      -1.432400    
 H   -6.501600      0.9843000      9.9500000E-02
 H    6.350400      -1.172600     -0.8186000    
 H    5.995700      -2.821900      -1.359900    
 H    5.372000      -1.438900      -2.275400    


%chk=000086105-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086105

0 1
N 0.261990 0.545465 -1.049477
C 1.859588 1.059531 0.883221
C -2.963513 -1.288289 0.228678
C 1.175759 1.540436 -0.425518
C -1.804574 -0.877631 -0.727079
C -0.968145 0.326671 -0.243770
C 2.532785 -0.331426 0.714726
C -4.014331 -0.160202 0.437039
C 2.854744 2.136153 1.404982
C -2.471026 -1.810810 1.609341
C 3.652591 -0.410810 -0.348150
C -4.666901 0.379274 -0.856488
C -0.039216 0.909314 -2.451027
C 4.297256 -1.814176 -0.423736
C 2.180835 3.411868 1.960928
C -1.488540 -3.000533 1.540709
C -5.793223 1.396515 -0.570057
C 5.403923 -1.913563 -1.495810
H 1.081189 0.946339 1.669433
H -3.487181 -2.135950 -0.268457
H 1.968443 1.767102 -1.165119
H 0.640512 2.505211 -0.227654
H -2.235976 -0.664421 -1.723427
H -1.117036 -1.733486 -0.866713
H -1.603146 1.252515 -0.233026
H -0.654167 0.143727 0.799210
H 2.945397 -0.641486 1.698446
H 1.749742 -1.066693 0.442639
H -3.550556 0.684233 0.988522
H -4.816145 -0.551094 1.098752
H 3.560808 2.414898 0.596706
H 3.467913 1.677361 2.207052
H -2.005075 -0.980458 2.179074
H -3.363113 -2.113751 2.195152
H 3.233917 -0.157518 -1.342605
H 4.444498 0.335557 -0.132449
H -3.898202 0.858935 -1.494170
H -5.074076 -0.470181 -1.442936
H -0.597872 0.099265 -2.948784
H 0.906103 1.054261 -3.003848
H -0.640922 1.851407 -2.541491
H 4.716938 -2.076935 0.569320
H 3.506973 -2.563353 -0.634953
H 1.630676 3.963469 1.177190
H 1.459588 3.157262 2.761133
H 2.930104 4.102642 2.390236
H -0.524903 -2.712757 1.082039
H -1.270569 -3.391305 2.551970
H -1.911308 -3.830512 0.942788
H -5.406706 2.264835 -0.003348
H -6.244646 1.777109 -1.504930
H -6.599426 0.936892 0.032671
H 6.219456 -1.193496 -1.292314
H 5.847908 -2.925812 -1.530095
H 5.001360 -1.686799 -2.501327


