%chk=000116267.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116267

0 1
 N   -6.538900     -0.1494000     -8.9500003E-02
 N    6.358700     -0.2266000      0.1749000    
 N   -7.286000       1.665400      0.9497000    
 N    8.142800      0.4929000     -0.9344000    
 C   -1.139600      -1.051700     -0.3229000    
 C   0.1669000      -1.602500      0.2524000    
 C   -2.341700      -1.876600      0.1453000    
 C    1.407900     -0.8334000     -0.2097000    
 C   -3.652100      -1.299400     -0.3944000    
 C    2.706600      -1.337600      0.4233000    
 C   -4.896600      -2.031000      0.1202000    
 C    3.909000     -0.5213000     -5.4400001E-02
 C   -6.230000      -1.530000     -0.4428000    
 C    5.199700     -0.9996000      0.6089000    
 C   -6.198400      0.9747000     -0.7995000    
 C    6.847500      0.9157000      0.7577000    
 C   -7.192900      0.3015000      0.9580000    
 C    7.161100     -0.4540000     -0.8411000    
 C   -6.651200       2.112700     -0.1746000    
 C    7.954300       1.380600      8.7099999E-02
 C   -6.541600       3.527700     -0.5308000    
 C    8.814500       2.541800      0.3165000    
 H   -1.262000     -7.1000000E-03 -1.2200000E-02
 H   -1.091600      -1.060500      -1.418500    
 H   0.2749000      -2.656400     -3.2699998E-02
 H   0.1159000      -1.574900       1.348100    
 H   -2.373100      -1.888200       1.241600    
 H   -2.233100      -2.915900     -0.1870000    
 H    1.278900      0.2287000      3.3399999E-02
 H    1.485000     -0.9007000      -1.302000    
 H   -3.639500      -1.334600      -1.490600    
 H   -3.708800     -0.2429000     -0.1087000    
 H    2.852600      -2.394500      0.1700000    
 H    2.628700      -1.273700       1.515400    
 H   -4.919700      -1.961400       1.215300    
 H   -4.803700      -3.096500     -0.1238000    
 H    4.000100     -0.5992000      -1.145000    
 H    3.749400      0.5404000      0.1726000    
 H   -7.053900      -2.147300     -6.6200003E-02
 H   -6.239600      -1.595700      -1.536800    
 H    5.141400     -0.9101000       1.699700    
 H    5.402600      -2.049100      0.3663000    
 H   -5.644300      0.8727000      -1.723600    
 H    6.352200       1.320500       1.630600    
 H   -7.612900     -0.3137000       1.743100    
 H    7.072800      -1.282200      -1.532200    
 H   -5.969200       3.664400      -1.453600    
 H   -6.039200       4.085700      0.2653000    
 H   -7.534400       3.963200     -0.6799000    
 H    8.490000       3.113100       1.191900    
 H    8.795800       3.209600     -0.5501000    
 H    9.848900       2.225700      0.4826000    


%chk=000116267-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116267

0 1
N -6.612572 -0.169879 -0.204649
N 6.500398 -0.310150 0.241952
N -7.333967 1.563521 1.072322
N 8.382767 0.266309 -0.888548
C -1.129946 -0.987239 -0.262284
C 0.186688 -1.543653 0.324561
C -2.376674 -1.794092 0.164856
C 1.432746 -0.733665 -0.098485
C -3.690677 -1.245446 -0.435417
C 2.750282 -1.296900 0.480337
C -4.931605 -2.046686 0.013364
C 3.991369 -0.483442 0.051457
C -6.262025 -1.547908 -0.599689
C 5.298120 -1.063073 0.639822
C -6.370398 1.005842 -0.935311
C 6.893249 0.950977 0.719103
C -7.190340 0.224217 0.998584
C 7.430212 -0.674075 -0.728035
C -6.820944 2.066802 -0.140936
C 8.055619 1.295017 0.018777
C -6.813596 3.539460 -0.439715
C 8.900740 2.531532 0.139931
H -1.254125 0.070115 0.051338
H -1.061178 -0.976923 -1.370290
H 0.311370 -2.600391 0.007491
H 0.116858 -1.557504 1.432425
H -2.451820 -1.791590 1.272384
H -2.247686 -2.855137 -0.136256
H 1.311469 0.321057 0.224923
H 1.498729 -0.713390 -1.206157
H -3.621755 -1.263092 -1.543913
H -3.813129 -0.183544 -0.144313
H 2.869090 -2.352449 0.156912
H 2.683352 -1.315951 1.588509
H -5.009910 -2.021485 1.118501
H -4.809423 -3.111883 -0.272033
H 4.069729 -0.466612 -1.053227
H 3.879431 0.569532 0.376946
H -7.089982 -2.213907 -0.292497
H -6.206238 -1.580926 -1.703217
H 5.237231 -1.082951 1.744894
H 5.430425 -2.107898 0.301719
H -5.925932 0.985762 -1.926994
H 6.339537 1.473643 1.494802
H -7.491890 -0.485806 1.766192
H 7.371727 -1.615782 -1.270398
H -6.366446 3.744322 -1.427744
H -6.238143 4.093646 0.324049
H -7.840627 3.947969 -0.432529
H 8.487692 3.226156 0.891509
H 8.962048 3.062254 -0.827647
H 9.934348 2.274598 0.435527


