%chk=000077089.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077089

0 1
 Cl  -6.447200     -0.8692000      -1.763300    
 N    3.901900     -0.8666000      0.1922000    
 N   -3.394200     -0.7090000      0.2095000    
 C    1.708600      -1.968100      0.2885000    
 C   -1.250600      -1.893500      2.2800000E-02
 C   0.9134000      -3.196800     -0.1705000    
 C   0.9684000     -0.6742000     -7.2999999E-02
 C  -0.5100000      -3.187300      0.3839000    
 C  -0.4553000     -0.6645000      0.4812000    
 C    3.110400      -1.975200     -0.3182000    
 C    6.066900      0.3061000      0.1310000    
 C    5.236800     -0.8646000     -0.3924000    
 C   -2.651800      -1.886900      0.6307000    
 C    7.460900      0.3117000     -0.5108000    
 C    5.344900       1.636900     -0.1191000    
 C    8.292000       1.504400     -4.3200001E-02
 C    6.179500       2.827500      0.3477000    
 C    7.567300       2.824800     -0.2854000    
 C   -4.728200     -0.6945000      0.7960000    
 C   -5.509400      0.5245000      0.3827000    
 C   -6.309900      0.5283000     -0.7596000    
 C   -5.418500       1.669400       1.174400    
 C   -7.019400       1.676900      -1.110200    
 C   -6.128000       2.818000      0.8236000    
 C   -6.928400       2.821900     -0.3186000    
 H    1.799300      -2.018400       1.383100    
 H   -1.342400      -1.855300      -1.072200    
 H   0.8731000      -3.228500      -1.266900    
 H    1.419900      -4.113300      0.1548000    
 H   0.9304000     -0.5560000      -1.163700    
 H    1.496700      0.2010000      0.3228000    
 H   -1.055300      -4.053200     -1.0500000E-02
 H  -0.4728000      -3.305600       1.474500    
 H  -0.4140000     -0.6321000       1.577600    
 H  -0.9444000      0.2605000      0.1545000    
 H    3.036600      -1.914000      -1.411400    
 H    3.602500      -2.925400     -7.5199999E-02
 H    6.194100      0.1854000       1.216300    
 H    5.752100      -1.804200     -0.1565000    
 H    5.161500     -0.7969000      -1.485200    
 H   -3.184400      -2.793300      0.3162000    
 H   -2.576500      -1.913700       1.725200    
 H    7.369500      0.3440000      -1.604100    
 H    7.990300     -0.6163000     -0.2638000    
 H    4.384400       1.668700      0.4079000    
 H    5.125800       1.748700      -1.189000    
 H    3.969400     -0.9262000       1.207800    
 H    8.511300       1.399100       1.026400    
 H    9.254400       1.510700     -0.5672000    
 H    5.662500       3.760800      9.7000003E-02
 H    6.276300       2.799300       1.440000    
 H    8.160400       3.651300      0.1219000    
 H    7.476200       2.998100      -1.364700    
 H   -3.467100     -0.7021000     -0.8079000    
 H   -5.280500      -1.610600      0.5557000    
 H   -4.645700     -0.6948000       1.891700    
 H   -4.797400       1.683500       2.066200    
 H   -7.647600       1.696400      -1.997200    
 H   -6.056800       3.709700       1.439600    
 H   -7.480500       3.716400     -0.5916000    


%chk=000077089-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077089

0 1
Cl -8.055390 -0.867917 0.991836
N 3.962434 -0.860382 0.114316
N -3.564748 -0.905055 0.055988
C 1.706209 -1.951284 0.127451
C -1.301857 -1.965735 -0.068864
C 0.926666 -3.210779 -0.327022
C 0.902636 -0.672306 -0.213383
C -0.503055 -3.251595 0.262999
C -0.517385 -0.713427 0.394482
C 3.127231 -1.928670 -0.477864
C 6.127348 0.402539 0.178363
C 5.324774 -0.755870 -0.454809
C -2.722021 -2.023740 0.536221
C 7.614000 0.357597 -0.257786
C 5.511109 1.786073 -0.147535
C 8.432985 1.509630 0.372820
C 6.319901 2.939066 0.491823
C 7.805532 2.889891 0.060294
C -4.918860 -0.858465 0.641959
C -5.650335 0.438935 0.312613
C -7.054390 0.567716 0.425738
C -4.937503 1.591969 -0.108746
C -7.743689 1.760516 0.137429
C -5.600126 2.802747 -0.405630
C -7.005818 2.889658 -0.285549
H 1.807142 -2.002641 1.236896
H -1.402844 -1.912769 -1.178171
H 0.864306 -3.213130 -1.436410
H 1.480795 -4.126267 -0.037149
H 0.828270 -0.585848 -1.319115
H 1.460470 0.215870 0.135709
H -1.042515 -4.143200 -0.115581
H -0.440250 -3.360502 1.366998
H -0.442753 -0.733362 1.503309
H -1.087396 0.197320 0.133691
H 3.055803 -1.738184 -1.568730
H 3.589297 -2.944717 -0.362958
H 6.100705 0.271382 1.285752
H 5.908311 -1.707196 -0.341305
H 5.224360 -0.576926 -1.545294
H -3.173049 -3.025093 0.314513
H -2.650679 -1.945242 1.640611
H 7.665568 0.435410 -1.365136
H 8.060327 -0.620219 0.014806
H 4.456290 1.805435 0.182776
H 5.501574 1.915747 -1.251336
H 4.002659 -0.955091 1.140887
H 8.469465 1.368570 1.473395
H 9.479571 1.473992 0.011649
H 5.873853 3.915045 0.217283
H 6.259261 2.860436 1.597799
H 8.380358 3.693096 0.561761
H 7.872347 3.079921 -1.031401
H -3.602221 -0.886274 -0.973965
H -5.561038 -1.720744 0.343237
H -4.809770 -0.938564 1.743279
H -3.848823 1.502505 -0.183353
H -8.831600 1.804726 0.241859
H -5.021567 3.675818 -0.726554
H -7.530479 3.823281 -0.514896


