%chk=000166482.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166482

1 1
 N  -0.7781000       1.098400      2.0900000E-02
 N    4.141300      -2.430100     -3.9999999E-02
 N   -5.465000      8.1100002E-02 -1.5100000E-02
 C   0.9487000     -0.5239000     -8.9999996E-03
 C  -1.8300001E-02  -1.555100     -3.3599999E-02
 C   -1.752400      0.1736000     -1.5000000E-03
 C   -1.407600      -1.198700     -2.9800000E-02
 C   0.5227000      0.7979000      1.7999999E-02
 C    2.321200     -0.8223000     -1.1500000E-02
 C   -3.091500      0.5928000      3.7000000E-03
 C   0.4664000      -2.885800     -6.0800001E-02
 C   -2.483100      -2.119900     -5.2400000E-02
 C    1.422600       1.936800      4.5800000E-02
 C    2.761400      -2.142200     -3.8500000E-02
 C   -4.120200     -0.3423000     -1.9099999E-02
 C   -1.152500       2.531300      4.9400002E-02
 C    1.834100      -3.174100     -6.3299999E-02
 C   -3.816700      -1.697700     -4.7100000E-02
 C    1.856500       2.506300      -1.148300    
 C    1.845800       2.454800       1.267000    
 C    4.637300      -3.652700      0.5608000    
 C    5.082200      -1.514200     -0.6549000    
 C   -6.493000     -0.7438000      0.5882000    
 C   -5.835800       1.353800     -0.6021000    
 C    2.719500       3.601700      -1.121100    
 C    2.708800       3.550300       1.294200    
 C    3.145600       4.123800      0.1001000    
 H    3.059000     -2.5500000E-02  2.3000000E-02
 H   -3.363600       1.640600      4.4399999E-02
 H  -0.2173000      -3.730700     -8.3499998E-02
 H   -2.302500      -3.191500     -7.7299997E-02
 H  -0.3608000       3.272700      5.1500000E-02
 H   -1.746900       2.737300     -0.8480000    
 H   -1.729300       2.704900      0.9648000    
 H    2.136100      -4.217100     -9.7000003E-02
 H   -4.591800      -2.458500     -7.7699997E-02
 H    1.532500       2.111100      -2.108000    
 H    1.513300       2.019200       2.206100    
 H    4.499200      -4.501800     -0.1168000    
 H    4.134500      -3.865700       1.510900    
 H    5.708100      -3.577700      0.7815000    
 H    4.697400      -1.118000      -1.601400    
 H    6.028400      -2.016700     -0.8857000    
 H    5.308400     -0.6804000      1.7999999E-02
 H   -6.156800      -1.172000       1.539300    
 H   -6.785900      -1.554600     -8.6999997E-02
 H   -7.392300     -0.1573000      0.8075000    
 H   -5.629700       2.176200      9.0899996E-02
 H   -6.906000       1.382100     -0.8366000    
 H   -5.304300       1.533600      -1.543600    
 H    3.059600       4.048500      -2.050900    
 H    3.040400       3.957000       2.245100    
 H    3.817500       4.976900      0.1212000    


%chk=000166482-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166482

1 1
N -0.833779 1.230711 -0.034116
N 4.138861 -2.420058 0.064749
N -5.587602 -0.020389 0.023967
C 0.939662 -0.448194 0.013541
C -0.055905 -1.498674 0.056855
C -1.852048 0.234779 0.003362
C -1.453216 -1.148047 0.049994
C 0.505558 0.919885 -0.032147
C 2.334059 -0.756826 0.014357
C -3.217416 0.610351 -0.005267
C 0.423807 -2.844561 0.103095
C -2.507120 -2.116660 0.087382
C 1.512989 2.028705 -0.078449
C 2.790104 -2.098379 0.061205
C -4.247744 -0.372348 0.032409
C -1.272052 2.653589 -0.073028
C 1.782844 -3.138251 0.106059
C -3.848234 -1.759395 0.079788
C 1.982270 2.514898 -1.326797
C 2.041338 2.562378 1.126047
C 4.580506 -3.826443 0.110674
C 5.142965 -1.345161 0.015096
C -6.637956 -1.056876 0.064933
C -5.976686 1.398557 -0.024255
C 2.955639 3.538219 -1.367326
C 3.013633 3.586530 1.079939
C 3.470758 4.077410 -0.165372
H 3.045872 0.068473 -0.022807
H -3.496080 1.661384 -0.042020
H -0.282705 -3.677988 0.137427
H -2.256909 -3.180077 0.123267
H -0.396284 3.311148 -0.089805
H -1.874188 2.833266 -0.979307
H -1.875496 2.880435 0.821676
H 2.090132 -4.186715 0.142755
H -4.605061 -2.546524 0.110065
H 1.591051 2.092968 -2.259557
H 1.695210 2.177626 2.092066
H 4.222642 -4.399516 -0.766663
H 4.234673 -4.336718 1.030544
H 5.679925 -3.859215 0.104497
H 5.045675 -0.739794 -0.908144
H 6.151885 -1.783047 0.028372
H 5.054738 -0.665607 0.886098
H -6.575359 -1.666298 0.986667
H -6.581043 -1.731580 -0.810529
H -7.624892 -0.571859 0.050489
H -5.598214 1.954356 0.856751
H -7.073298 1.479134 -0.026945
H -5.598607 1.893093 -0.941194
H 3.310995 3.910879 -2.333527
H 3.413370 3.997367 2.012745
H 4.223830 4.871461 -0.198915


