%chk=000067381.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067381

0 1
 Br  -2.223000       3.066200     -0.7488000    
 O    5.122700       1.182900      0.3732000    
 O   -5.742400     -0.3052000      0.5336000    
 C    2.750200      0.5281000      0.2195000    
 C    2.117500     -0.7212000     -0.4260000    
 C   0.6592000     -0.9101000     -9.3000000E-03
 C  -0.1607000      0.3263000     -0.4883000    
 C    4.183000      0.3937000     -0.3303000    
 C    1.982900       1.760600     -0.2741000    
 C    3.129000      -1.824900     -0.1299000    
 C   0.4736000       1.650600      1.6000001E-02
 C    4.491300      -1.111200     -0.2034000    
 C   3.8600001E-02  -2.177400     -0.6000000    
 C    2.765300      0.5217000       1.769700    
 C   -1.645500      0.1601000     -0.1763000    
 C   -1.363100      -2.380300     -3.2600001E-02
 C   -2.202800      -1.126400     -6.3999998E-03
 C   -2.509600       1.268600     -0.1390000    
 C   -3.578900      -1.265800      0.2466000    
 C   -3.876300       1.115200      0.1040000    
 C   -4.410700     -0.1514000      0.3017000    
 H    2.122300     -0.5909000      -1.521400    
 H   0.5977000     -0.9915000       1.083600    
 H  -0.1020000      0.3547000      -1.587700    
 H    4.219600      0.6871000      -1.387100    
 H    2.122000       1.874300      -1.357700    
 H    2.382300       2.674000      0.1836000    
 H    3.069200      -2.641800     -0.8561000    
 H    2.975500      -2.254600      0.8662000    
 H   0.2752000       1.792400       1.084300    
 H   0.1049000       2.518200     -0.5108000    
 H    5.096300      -1.335200      0.6823000    
 H    5.063300      -1.451600      -1.073900    
 H   0.6441000      -3.061100     -0.3699000    
 H  -8.8000000E-03  -2.098800      -1.693800    
 H    3.236500       1.433800       2.154300    
 H    1.761500      0.4811000       2.201000    
 H    3.323500     -0.3255000       2.180000    
 H   -1.281000      -2.750900      0.9973000    
 H   -1.870000      -3.154600     -0.6211000    
 H    6.003700      0.9717000      1.9900000E-02
 H   -4.003100      -2.256500      0.3979000    
 H   -4.554400       1.967100      0.1119000    
 H   -6.166800      0.5699000      0.5377000    


%chk=000067381-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067381

0 1
Br -2.049208 2.827767 -1.611248
O 5.156756 1.271490 0.330999
O -5.858718 -0.297627 0.418169
C 2.786352 0.507239 0.274472
C 2.109288 -0.691626 -0.472435
C 0.663750 -0.902929 0.011806
C -0.144854 0.369917 -0.403524
C 4.180615 0.454250 -0.403894
C 1.955147 1.791041 0.028622
C 3.158643 -1.831178 -0.385401
C 0.452826 1.586079 0.377386
C 4.532361 -1.072330 -0.448386
C -0.045748 -2.188557 -0.444293
C 2.957320 0.274878 1.800719
C -1.662115 0.194285 -0.260516
C -1.363417 -2.293586 0.351036
C -2.231777 -1.045662 0.188276
C -2.598965 1.200685 -0.614015
C -3.620967 -1.175478 0.404946
C -3.987749 1.096468 -0.404249
C -4.493088 -0.100248 0.151774
H 2.049211 -0.399719 -1.546657
H 0.681469 -0.947385 1.122521
H 0.059390 0.554756 -1.483141
H 4.084379 0.845414 -1.442651
H 2.032500 2.080227 -1.041134
H 2.366045 2.631914 0.619197
H 3.045848 -2.559126 -1.208472
H 3.058881 -2.393294 0.562164
H 0.323083 1.409153 1.463176
H -0.092688 2.514714 0.146460
H 5.162424 -1.315332 0.427216
H 5.106600 -1.334062 -1.356214
H 0.585007 -3.075394 -0.245041
H -0.251228 -2.163172 -1.533634
H 3.634627 1.046076 2.204719
H 1.996269 0.343481 2.337873
H 3.401348 -0.709233 2.032551
H -1.119900 -2.450861 1.422511
H -1.952855 -3.173752 0.032201
H 6.027520 1.230903 -0.137646
H -4.042494 -2.124134 0.752215
H -4.655201 1.915788 -0.692018
H -6.384887 0.509559 0.193959


