%chk=000178917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178917

0 1
 Br  -3.380000       2.463700      -1.046600    
 Br  -5.922900      0.5666000      -2.165500    
 Br  -5.983200      -2.721700      -1.323000    
 Br   5.817000     -0.8149000      -3.415900    
 Cl   2.615400       2.819000      6.4300001E-02
 O  -4.0800001E-02   3.743200       1.000100    
 N  -0.3291000       1.522700      0.2244000    
 N   -1.504100      -1.750300       1.330000    
 N    4.442100      -1.240500     -0.9075000    
 N    3.702600      0.5168000      -2.050600    
 C   -1.295000      0.6719000      0.9414000    
 C   -1.516100       1.879700       1.888000    
 C   -2.529200      5.8300000E-02  0.2356000    
 C  -0.7277000     -0.7204000       1.528000    
 C  -0.5111000       2.628500      0.9894000    
 C   -2.601900      -1.313100      0.5523000    
 C    3.025100      -1.285000       1.243500    
 C   0.6921000      0.9608000     -0.4823000    
 C   0.6425000     -0.7554000       2.090700    
 C   -3.513000      0.6199000     -0.5717000    
 C    1.506100      -1.445900       1.324900    
 C    3.435900     -0.7127000     -0.1269000    
 C   -3.627700      -2.121000      8.4100001E-02
 C    1.987400       1.319800     -0.5261000    
 C    2.999900      0.3771000     -0.8830000    
 C    3.602300     -0.3651000       2.341900    
 C    3.617000      -2.695200       1.466800    
 C   -4.551900     -0.1839000      -1.048700    
 C   -4.609900      -1.545000     -0.7208000    
 C    4.558300     -0.4781000      -2.036700    
 H   -1.163700       1.742500       2.914700    
 H   -2.515500       2.320300       1.908500    
 H   0.4257000     -1.4800000E-02 -0.8869000    
 H   0.9364000     -2.3000001E-03   2.808200    
 H    1.100300      -2.098100      0.5485000    
 H   -3.644700      -3.176100      0.3410000    
 H    3.366900     -0.7414000       3.344500    
 H    4.694400     -0.2966000       2.264700    
 H    3.214100      0.6568000       2.270700    
 H    3.313000      -3.393100      0.6766000    
 H    4.713300      -2.676200       1.485100    
 H    3.287100      -3.117800       2.424000    
 H    5.008000      -2.048500     -0.6885000    


%chk=000178917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178917

0 1
Br -3.622836 2.569035 -0.930245
Br -6.130332 0.548815 -2.067044
Br -6.053301 -2.792015 -1.291559
Br 5.916312 -1.003632 -3.411991
Cl 2.627127 2.708695 0.577637
O -0.323272 3.925954 0.941911
N -0.388119 1.593586 0.187498
N -1.398480 -1.701599 1.212972
N 4.505887 -1.338509 -0.903515
N 3.788651 0.464937 -2.062457
C -1.373390 0.698174 0.933024
C -1.635185 1.918630 1.897983
C -2.583877 0.107024 0.219926
C -0.700935 -0.599024 1.465198
C -0.678459 2.742308 0.996584
C -2.570915 -1.294518 0.491792
C 3.118076 -1.333060 1.277323
C 0.684903 1.060749 -0.554503
C 0.708069 -0.576692 1.874387
C -3.633291 0.659313 -0.526122
C 1.592317 -1.445407 1.300811
C 3.491980 -0.776319 -0.111779
C -3.595111 -2.143715 0.054204
C 2.019592 1.296979 -0.433229
C 3.052772 0.345285 -0.861911
C 3.679340 -0.403270 2.389300
C 3.702491 -2.764567 1.470185
C -4.684156 -0.187232 -1.002667
C -4.650559 -1.575470 -0.694390
C 4.634942 -0.560568 -2.048325
H -1.233784 1.773004 2.914536
H -2.672150 2.279747 1.949149
H 0.400844 0.200994 -1.173370
H 1.063421 0.296678 2.435002
H 1.177308 -2.248570 0.672907
H -3.571397 -3.210874 0.283877
H 3.382542 -0.782713 3.383960
H 4.782401 -0.376142 2.342322
H 3.321317 0.633837 2.281908
H 3.354675 -3.462790 0.686261
H 4.809290 -2.752590 1.481108
H 3.374586 -3.166150 2.444090
H 5.046108 -2.173820 -0.681549


