%chk=000147889.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147889

0 1
 Cl  -8.198800      -2.384400       1.975500    
 N    1.882300      0.1227000       1.019100    
 N   -6.355100      5.0500002E-02 -0.6668000    
 N    5.727400     -0.4916000     -0.5320000    
 C  -0.2588000       1.264700      0.9237000    
 C  -0.6947000      0.5656000     -0.3686000    
 C    1.257400       1.402500       1.032600    
 C   -2.194300      0.4292000     -0.4477000    
 C    3.186200     -8.5500002E-02  0.4930000    
 C    4.059100      0.9984000      0.3544000    
 C    3.585200      -1.372600      0.1188000    
 C   -4.952200      0.1778000     -0.5933000    
 C   -2.803100     -0.7028000      7.2499998E-02
 C   -2.939700       1.437800      -1.039400    
 C    5.338100      0.7462000     -0.1700000    
 C    4.882700      -1.532100     -0.3964000    
 C   -4.190400     -0.8293000     -8.9999998E-04
 C   -4.326800       1.311300      -1.112600    
 C   -7.013300      -1.129400     -0.1420000    
 C   -7.155200       1.091500      -1.280500    
 C    3.684600       2.302400      0.7226000    
 C    2.728600      -2.479900      0.2473000    
 C    6.211800       1.821200     -0.3104000    
 C    5.285800      -2.811100     -0.7708000    
 C   -7.379600     -0.9439000       1.322100    
 C   -7.380200       2.224800     -0.2981000    
 C    4.576900       3.359800      0.5722000    
 C    3.156000      -3.748200     -0.1344000    
 C    5.843000       3.118200      5.4499999E-02
 C    4.437200      -3.913700     -0.6444000    
 H  -0.7148000       2.261700      0.9796000    
 H  -0.6367000      0.7013000       1.787500    
 H  -0.2435000     -0.4315000     -0.4467000    
 H  -0.3308000       1.124700      -1.240400    
 H    1.399000       1.890700       2.003500    
 H    1.481400       2.013500      0.1507000    
 H    1.394700     -0.6575000       1.439200    
 H   -2.217900      -1.488900      0.5415000    
 H   -2.460900       2.324700      -1.444800    
 H   -4.613100      -1.724500      0.4405000    
 H   -4.859300       2.128800      -1.585600    
 H   -6.451900      -2.053500     -0.3189000    
 H   -7.944200      -1.295100     -0.7021000    
 H   -8.138800      0.6955000      -1.564000    
 H   -6.728000       1.448800      -2.224100    
 H    2.875200       2.656700       1.322600    
 H    1.715000      -2.401800      0.6274000    
 H    7.210400       1.657200     -0.7114000    
 H    6.285100      -2.966700      -1.173500    
 H   -8.066100     -0.1060000       1.461900    
 H   -6.495900     -0.7618000       1.940800    
 H   -7.970200       1.900400      0.5633000    
 H   -6.449500       2.651700      8.5500002E-02
 H   -7.938000       3.031300     -0.7857000    
 H    4.307100       4.360500      0.8977000    
 H    2.491900      -4.601600     -3.7099998E-02
 H    6.550700       3.934500     -5.7100002E-02
 H    4.780300      -4.899100     -0.9460000    


%chk=000147889-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147889

0 1
Cl -7.785727 -3.031681 1.793476
N 1.999407 0.500072 1.404544
N -6.314942 -0.132672 -0.803257
N 5.480137 -0.643250 -0.850194
C -0.257843 1.517044 1.135627
C -0.606893 0.930475 -0.260933
C 1.252586 1.775220 1.340717
C -2.092799 0.647883 -0.420954
C 3.156039 0.150257 0.712747
C 4.209254 1.090944 0.429557
C 3.326365 -1.217490 0.273270
C -4.935307 0.132615 -0.653849
C -2.666409 -0.567252 0.029863
C -2.975672 1.600873 -0.986042
C 5.327037 0.641446 -0.397319
C 4.520204 -1.554820 -0.490067
C -4.046697 -0.826180 -0.072353
C -4.359799 1.363054 -1.099496
C -6.894561 -1.391157 -0.313099
C -7.222370 0.870236 -1.398493
C 4.262817 2.424894 0.970049
C 2.364546 -2.256601 0.523115
C 6.362625 1.583441 -0.737232
C 4.708125 -2.915248 -0.921926
C -7.165036 -1.339546 1.204275
C -7.659152 2.002782 -0.437154
C 5.301527 3.296858 0.650524
C 2.577399 -3.565186 0.090109
C 6.349761 2.881277 -0.237279
C 3.768166 -3.900471 -0.635359
H -0.798218 2.473589 1.274823
H -0.633618 0.838113 1.929931
H -0.024028 0.002134 -0.421233
H -0.270638 1.647776 -1.035182
H 1.396658 2.367350 2.268441
H 1.643517 2.374390 0.499072
H 1.446639 -0.278152 1.767097
H -2.019231 -1.340030 0.465563
H -2.574248 2.554546 -1.352736
H -4.420561 -1.787781 0.292120
H -4.986129 2.140540 -1.545711
H -6.230999 -2.245618 -0.540256
H -7.844763 -1.581419 -0.842320
H -8.119328 0.335157 -1.761363
H -6.740897 1.305846 -2.295434
H 3.502811 2.751335 1.683858
H 1.429838 -2.041829 1.057055
H 7.165987 1.216720 -1.383546
H 5.622176 -3.129629 -1.484238
H -7.958687 -0.625708 1.467852
H -6.253503 -1.137278 1.784843
H -8.245000 1.602445 0.409447
H -6.784929 2.535287 -0.024218
H -8.290347 2.737423 -0.971204
H 5.327649 4.299781 1.090574
H 1.828920 -4.338562 0.294383
H 7.151933 3.581338 -0.496273
H 3.927509 -4.931480 -0.969916


