%chk=000014636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014636

0 1
 O  -8.9699998E-02  -2.128900      0.6096000    
 N   -2.864500     -0.2324000     -0.4403000    
 N    1.240000      -1.765000      0.7843000    
 C   -2.760200      0.3417000      0.9086000    
 C   -4.267800     -0.4547000     -0.8159000    
 C   -3.505000       1.674500       1.000200    
 C   -5.062000      0.8519000     -0.7806000    
 C   -4.963800       1.524000      0.5842000    
 C   -2.108400      -1.481700     -0.5245000    
 C  -0.6556000      -1.240100     -0.2219000    
 C   0.2150000     -0.2945000     -0.6207000    
 C    1.398500     -0.6670000      3.9799999E-02
 C    2.671500     -1.9999999E-04 -2.4599999E-02
 C    2.724900       1.376600     -0.2339000    
 C    3.847800     -0.7328000      0.1224000    
 C    3.959300       2.023000     -0.2967000    
 C    5.082200     -8.6199999E-02  5.9799999E-02
 C    5.137800       1.291800     -0.1498000    
 H   -1.724000      0.5504000       1.193700    
 H   -3.164900     -0.3526000       1.657500    
 H   -4.739400      -1.189400     -0.1499000    
 H   -4.320200     -0.8578000      -1.834600    
 H   -3.014700       2.414800      0.3552000    
 H   -3.452500       2.058800       2.025300    
 H   -6.112800      0.6531000      -1.019800    
 H   -4.681800       1.533800      -1.551900    
 H   -5.496500      0.9200000       1.328900    
 H   -5.450600       2.505000      0.5566000    
 H   -2.169100      -1.890100      -1.541000    
 H   -2.514200      -2.239800      0.1581000    
 H   3.3399999E-02  0.5341000      -1.289700    
 H    1.823800       1.975000     -0.3419000    
 H    3.837000      -1.808800      0.2784000    
 H    4.003100       3.096300     -0.4577000    
 H    6.000200     -0.6555000      0.1723000    
 H    6.098900       1.795200     -0.1985000    


%chk=000014636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014636

0 1
O 0.044926 -2.379386 0.384195
N -2.915768 -0.252108 -0.249930
N 1.459071 -2.004106 0.453169
C -3.031049 0.235404 1.150605
C -4.245791 -0.359591 -0.905557
C -3.714475 1.616652 1.200019
C -4.961504 1.005606 -0.920213
C -5.098742 1.569891 0.512399
C -2.153173 -1.516635 -0.342475
C -0.678638 -1.298983 -0.141299
C 0.186800 -0.255783 -0.403255
C 1.500186 -0.727895 -0.025733
C 2.791719 -0.014728 -0.107785
C 2.843913 1.347966 -0.504130
C 4.005076 -0.686937 0.208008
C 4.080203 2.024460 -0.583554
C 5.237375 -0.009040 0.128108
C 5.281874 1.349583 -0.268280
H -2.016167 0.294365 1.584078
H -3.618214 -0.490280 1.773930
H -4.896823 -1.108411 -0.380617
H -4.096263 -0.719292 -1.941157
H -3.068647 2.353052 0.683680
H -3.811505 1.937689 2.254787
H -5.955861 0.892737 -1.393289
H -4.372165 1.708561 -1.540225
H -5.780422 0.920620 1.100359
H -5.554309 2.577744 0.489348
H -2.312236 -1.939864 -1.354234
H -2.499288 -2.295055 0.383143
H -0.090036 0.708203 -0.818854
H 1.919940 1.883949 -0.747392
H 3.963987 -1.737932 0.511472
H 4.105410 3.076012 -0.890064
H 6.164835 -0.538592 0.372554
H 6.241460 1.874622 -0.330809


