%chk=000029156.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029156

0 1
 Br   2.965300      -2.417700       2.320100    
 Cl  -2.233200      -3.293900      -2.298300    
 Cl  -4.773100       1.804600       1.548600    
 O    1.481200       1.930600      -1.604300    
 N   -1.552500     -0.1770000      0.1608000    
 C  -0.5652000      0.9322000      0.1204000    
 C   -1.392000      -1.076800     -0.9812000    
 C   -2.923200      0.3300000      0.2217000    
 C   0.8515000      0.4234000      0.1498000    
 C    1.802300      0.9499000     -0.7146000    
 C   -2.433900      -2.183100     -0.9223000    
 C   -3.101800       1.199300       1.456600    
 C    1.185900     -0.5761000       1.054300    
 C    3.110700      0.4686000     -0.6741000    
 C    2.494600      -1.057500       1.094700    
 C    3.456900     -0.5353000      0.2304000    
 C    1.626400       3.278900      -1.162700    
 H  -0.6364000       1.575100       1.002500    
 H  -0.7613000       1.555300     -0.7600000    
 H  -0.4038000      -1.549200     -0.9847000    
 H   -1.489900     -0.5249000      -1.925800    
 H   -3.652100     -0.4752000      0.3448000    
 H   -3.182000      0.8905000     -0.6859000    
 H   -2.353400      -2.772000     -3.3000000E-03
 H   -3.459100      -1.829500      -1.036500    
 H   -2.896500      0.6448000       2.377900    
 H   -2.493800       2.104500       1.444200    
 H   0.4445000     -0.9763000       1.741500    
 H    3.865400      0.8702000      -1.344900    
 H    4.480900     -0.8994000      0.2488000    
 H    1.021100       3.465700     -0.2701000    
 H    1.282000       3.940000      -1.962600    
 H    2.678000       3.500000     -0.9548000    


%chk=000029156-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029156

0 1
Br 2.497268 -2.605507 2.178183
Cl -2.333561 -3.507635 -2.208664
Cl -4.834194 1.204852 2.481605
O 1.443574 2.474288 -1.166529
N -1.804945 0.025473 -0.096689
C -0.771418 1.080487 -0.217396
C -1.842310 -0.924239 -1.235119
C -3.126678 0.518236 0.355424
C 0.645107 0.587812 0.065702
C 1.763460 1.322247 -0.427323
C -2.187111 -2.332438 -0.731986
C -3.181110 0.490525 1.889316
C 0.883778 -0.568396 0.836885
C 3.085049 0.892380 -0.162438
C 2.203547 -0.985879 1.101264
C 3.309716 -0.272182 0.608224
C 2.550218 3.255076 -1.728014
H -1.015019 1.885134 0.504011
H -0.787777 1.563742 -1.219769
H -0.844046 -0.951461 -1.705144
H -2.570138 -0.616744 -2.019248
H -3.922830 -0.134727 -0.044273
H -3.341751 1.546251 -0.009974
H -1.395420 -2.745855 -0.091383
H -3.162770 -2.380934 -0.224986
H -3.132595 -0.534174 2.284587
H -2.406306 1.119619 2.352655
H 0.018820 -1.117697 1.219052
H 3.947338 1.447058 -0.542653
H 4.330348 -0.606706 0.813552
H 3.203662 3.654020 -0.928540
H 2.070980 4.086675 -2.264679
H 3.150615 2.650399 -2.434654


