%chk=000063314.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063314

0 1
 Br   5.117000       3.757200     -4.9999999E-03
 Br   7.821400     -0.7543000       2.091700    
 Cl  -9.525600       1.256700      0.4494000    
 O   -1.309200      -1.310500      -1.078900    
 O    3.234300      -2.420800     -0.3032000    
 O   -3.793400     -5.5000000E-03  0.2792000    
 N    2.121000     -0.5513000      -1.166500    
 N    3.067000       1.613900     -0.8997000    
 N   8.4100001E-02  -1.748400      0.6157000    
 N   -1.206000      -1.749000       1.112400    
 C    1.023000      -1.364200      -1.687800    
 C    4.241400     -0.3341000      8.3999997E-03
 C    2.129000      0.8319000      -1.335100    
 C    3.161900      -1.210100     -0.4945000    
 C    4.147400       1.041700     -0.2158000    
 C  -4.5800000E-02  -1.491000     -0.6454000    
 C    5.334400     -0.8748000      0.6951000    
 C   0.9725000       1.466700      -2.070200    
 C    5.166800       1.875000      0.2590000    
 C    6.342300     -3.2499999E-02   1.162000    
 C    6.259000       1.341200      0.9447000    
 C   -1.985400      -1.488900      8.8799998E-02
 C   -3.447800      -1.370400      3.2600001E-02
 C   -5.127800      0.2881000      0.3202000    
 C   -6.064800     -0.7229000      0.1263000    
 C   -5.541400       1.596400      0.5543000    
 C   -7.426400     -0.4231000      0.1667000    
 C   -6.903100       1.896300      0.5947000    
 C   -7.845600      0.8866000      0.4008000    
 H   0.6218000     -0.9437000      -2.613300    
 H    1.391500      -2.368100      -1.927000    
 H    5.402400      -1.946200      0.8669000    
 H   1.9400001E-02   1.188100      -1.615900    
 H   0.9856000       1.160600      -3.119900    
 H    1.058900       2.557400      -2.034600    
 H    7.047200       1.995900       1.310500    
 H   -3.795900      -1.684700     -0.9590000    
 H   -3.862800      -2.022000      0.8116000    
 H   -5.814700      -1.760400     -6.4599998E-02
 H   -4.811000       2.386200      0.7056000    
 H   -8.150600      -1.219100      1.2900000E-02
 H   -7.215000       2.921300      0.7779000    


%chk=000063314-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063314

0 1
Br 7.150611 1.883140 0.858218
Br 6.686461 -3.868666 0.518114
Cl -9.952386 -2.094978 -0.103691
O -1.338870 0.095394 -0.593608
O 1.887525 -1.560051 -1.208760
O -4.359506 0.161091 -0.184196
N 2.179381 0.763386 -1.062554
N 4.206746 1.757109 -0.245279
N -0.324989 1.802832 0.516716
N -1.541410 1.465661 1.216325
C 0.805116 0.906260 -1.601705
C 4.015990 -0.708812 -0.394271
C 2.971955 1.880094 -0.709417
C 2.640459 -0.587094 -0.908031
C 4.752544 0.481317 -0.083769
C -0.243472 0.980705 -0.528265
C 4.571045 -2.001318 -0.219799
C 2.384341 3.260734 -0.856075
C 6.084123 0.318395 0.411201
C 5.878426 -2.105259 0.266674
C 6.647067 -0.955493 0.586524
C -2.105963 0.471447 0.533524
C -3.373592 -0.246908 0.831286
C -5.643030 -0.415007 -0.088187
C -6.043480 -1.324177 0.920594
C -6.552138 -0.016232 -1.098728
C -7.362407 -1.836130 0.913043
C -7.864344 -0.526066 -1.105069
C -8.253213 -1.432774 -0.096025
H 0.757708 1.803429 -2.238465
H 0.599202 0.013458 -2.215309
H 3.963354 -2.874685 -0.471112
H 1.449559 3.358752 -0.274888
H 2.169306 3.511702 -1.912422
H 3.124807 3.978192 -0.476406
H 7.666358 -1.058846 0.966368
H -3.216761 -1.343136 0.790184
H -3.704979 0.045478 1.845345
H -5.361135 -1.643675 1.713215
H -6.217859 0.687941 -1.865864
H -7.683485 -2.538502 1.687435
H -8.572063 -0.223509 -1.881871


