%chk=000070829.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070829

0 1
 Br -5.1399998E-02  -4.066300      2.3000001E-03
 O   9.9999998E-03   1.977400      3.0000001E-04
 C   -2.514700      0.6707000     -1.2000001E-03
 C    2.507500      0.6195000      2.4999999E-03
 C   -1.180500     -9.3599997E-02  7.9999998E-04
 C    1.197000     -9.6199997E-02  2.3000001E-03
 C  -4.0000002E-03  0.6134000      1.4000000E-03
 C   -3.688200     -0.3328000     -2.4999999E-03
 C   -2.603700       1.557800      -1.262000    
 C   -2.706900       1.595900       1.221800    
 C    2.508100       2.015300     -0.7033000    
 C    3.003500      0.8878000       1.456500    
 C    3.606000     -0.2154000     -0.7243000    
 C   -1.233100      -1.466400      8.9999998E-04
 C    1.182700      -1.491000      2.6000000E-03
 C  -3.2299999E-02  -2.176100      1.9000000E-03
 H   -3.704400     -0.9653000     -0.8985000    
 H   -3.716300     -0.9551000      0.9002000    
 H   -4.643200      0.2097000     -1.5699999E-02
 H   -2.398400      0.9756000      -2.168500    
 H   -3.612300       1.976000      -1.367900    
 H   -1.919700       2.410400      -1.254800    
 H   -1.998600       2.428300       1.249700    
 H   -3.710600       2.037300       1.228900    
 H   -2.584800       1.033900       2.155300    
 H    2.111900       2.823900     -8.2099997E-02
 H    1.973800       1.984900      -1.659800    
 H    3.534600       2.332300     -0.9300000    
 H    2.292500       1.509700       2.012100    
 H    3.973500       1.397800       1.458700    
 H    3.117600     -5.1100001E-02   2.011000    
 H    3.282200     -0.5180000      -1.727100    
 H    3.898500      -1.109300     -0.1630000    
 H    4.529700      0.3648000     -0.8422000    
 H   -2.137300      -2.059700      1.8000000E-03
 H    2.093300      -2.079000      3.0700000E-02
 H   0.3650000       2.249100      0.8652000    


%chk=000070829-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070829

0 1
Br -0.035052 -4.116291 -0.622964
O -0.069247 1.982090 0.284771
C -2.622667 0.669690 0.114159
C 2.607772 0.655560 -0.006788
C -1.272353 -0.083412 -0.015282
C 1.243489 -0.091431 -0.069629
C -0.010784 0.585997 0.065643
C -3.836598 -0.288824 -0.023589
C -2.743037 1.741641 -1.013032
C -2.720326 1.350740 1.514132
C 2.708421 1.712350 -1.156639
C 2.812726 1.320874 1.394850
C 3.806889 -0.312388 -0.203141
C -1.246505 -1.484374 -0.223382
C 1.206409 -1.494237 -0.273731
C -0.023647 -2.163527 -0.343644
H -3.858727 -0.794462 -1.006969
H -3.851961 -1.057915 0.770976
H -4.767174 0.300284 0.067641
H -2.710571 1.263913 -2.009995
H -3.709574 2.272031 -0.918275
H -1.930769 2.481758 -0.950901
H -1.906750 2.076725 1.663693
H -3.686770 1.882568 1.601338
H -2.671750 0.594211 2.319422
H 1.907161 2.474058 -1.152331
H 2.656372 1.206447 -2.137410
H 3.675141 2.245326 -1.093711
H 2.048772 2.073039 1.670148
H 3.794867 1.827567 1.429302
H 2.792369 0.549457 2.185207
H 3.766561 -0.823431 -1.181905
H 3.854710 -1.077778 0.592401
H 4.748555 0.265028 -0.166925
H -2.180533 -2.043342 -0.290156
H 2.132216 -2.060535 -0.379206
H 0.839363 2.356793 0.369925


