%chk=000044782.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044782

0 1
 Cl   1.197400     -0.4690000      -2.775200    
 N   -2.803100     -0.6983000      0.5240000    
 C   0.3304000     -0.3400000     -7.0200004E-02
 C  -0.4062000      -1.099800       1.123000    
 C   0.5866000      -1.329500      -1.296800    
 C   -1.811600      -1.709700      0.8792000    
 C  -0.6191000      0.8611000     -0.3966000    
 C    1.730700      0.1831000      0.4150000    
 C    1.539200      -2.515100      -1.013500    
 C   -2.289100      -2.437500       2.141100    
 C  -0.4364000       2.009400      0.3077000    
 C    2.432400      0.9598000     -0.4479000    
 C   -1.557700      0.6697000      -1.361200    
 C    2.129100     -0.1821000       1.659400    
 C    1.786300      -3.401300      -2.232500    
 C   -2.963400      0.2675000       1.611400    
 C   -4.086200      -1.325900      0.2070000    
 C   -1.282200       3.079800      1.6899999E-02
 C    3.675200       1.424300     -1.7400000E-02
 C   -2.403500       1.740100      -1.652000    
 C    3.371800      0.2825000       2.090000    
 C   -2.265600       2.945200     -0.9630000    
 C    4.144900       1.085800       1.251500    
 H  -0.4423000     -0.4647000       2.016600    
 H   0.2138000      -1.960900       1.408700    
 H  -0.3604000      -1.773800      -1.616300    
 H   -1.724900      -2.443800      6.9200002E-02
 H    1.109700      -3.142200     -0.2248000    
 H    2.511300      -2.166300     -0.6491000    
 H   -1.572200      -3.235000       2.377500    
 H   -3.249100      -2.946900       2.024400    
 H   -2.323800      -1.804800       3.033300    
 H   0.2871000       2.140300       1.102900    
 H    2.067100       1.353200      -1.383900    
 H   -1.701600     -0.2438000      -1.922600    
 H    1.599900     -0.8052000       2.364100    
 H    2.421400      -2.915100      -2.978500    
 H   0.8444000      -3.696400      -2.705600    
 H    2.304400      -4.315200      -1.922300    
 H   -2.050900      0.7185000       1.999000    
 H   -3.515200     -0.1367000       2.468400    
 H   -3.571300       1.105300       1.247400    
 H   -3.965400      -2.133300     -0.5241000    
 H   -4.738600     -0.5832000     -0.2679000    
 H   -4.631200      -1.710900       1.074900    
 H   -1.181900       4.014800      0.5602000    
 H    4.265100       2.073200     -0.6584000    
 H   -3.170500       1.635400      -2.413800    
 H    3.739400      1.9099999E-02   3.077600    
 H   -2.926100       3.777600      -1.187400    
 H    5.109700       1.452700       1.589300    


%chk=000044782-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044782

0 1
Cl 1.072484 -0.506555 -2.714059
N -2.729202 -1.166475 0.297420
C 0.308992 -0.175168 0.076540
C -0.402285 -0.867191 1.317129
C 0.356435 -1.238884 -1.072842
C -1.634804 -1.791281 1.088095
C -0.527795 1.086664 -0.284085
C 1.765327 0.256040 0.443709
C 1.186108 -2.501814 -0.786755
C -2.086614 -2.363143 2.466890
C -0.480414 2.194733 0.605383
C 2.392835 1.279601 -0.320367
C -1.375409 1.184306 -1.413759
C 2.540684 -0.366860 1.456715
C 0.958073 -3.631696 -1.811309
C -3.458257 -0.071291 0.965721
C -3.647582 -2.142768 -0.319925
C -1.247329 3.357508 0.378107
C 3.728224 1.664307 -0.081886
C -2.140880 2.348666 -1.650929
C 3.878365 0.020179 1.705455
C -2.083944 3.442602 -0.758579
C 4.482504 1.037246 0.936466
H -0.667117 -0.064151 2.030494
H 0.325776 -1.507599 1.843956
H -0.674831 -1.489361 -1.370787
H -1.299551 -2.657292 0.481331
H 0.921800 -2.872014 0.223484
H 2.255387 -2.227577 -0.745518
H -1.275168 -2.952464 2.932946
H -2.961147 -3.029239 2.352446
H -2.360376 -1.553541 3.168044
H 0.180706 2.153762 1.479608
H 1.824492 1.778828 -1.109882
H -1.451764 0.356306 -2.120558
H 2.120362 -1.162378 2.079146
H 1.246821 -3.305872 -2.825293
H -0.105732 -3.937618 -1.841476
H 1.559112 -4.521611 -1.550542
H -2.752107 0.672477 1.368749
H -4.122077 -0.418095 1.795011
H -4.088131 0.449522 0.221928
H -3.070813 -2.909419 -0.870186
H -4.299187 -1.621224 -1.045148
H -4.314163 -2.670756 0.407550
H -1.184763 4.195721 1.081607
H 4.179364 2.453953 -0.693356
H -2.781731 2.399106 -2.538868
H 4.444854 -0.478374 2.500542
H -2.676913 4.344987 -0.946455
H 5.519180 1.337197 1.126791


