%chk=000050181.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050181

0 1
 Br   4.619500       3.107800     -0.4963000    
 O    4.558900      -2.110700      0.2442000    
 O    5.824200      0.2412000     -0.4299000    
 N  -0.4974000      9.4099998E-02 -8.5500002E-02
 C   -1.897300      9.2799999E-02  0.3256000    
 C   -2.836800     -0.1033000     -0.8726000    
 C   0.3797000      0.2709000       1.062900    
 C    1.831900      0.2688000      0.6651000    
 C   -4.272700     -8.0200002E-02 -0.4695000    
 C    2.530800     -0.9298000      0.6382000    
 C    2.450400       1.465000      0.3297000    
 C    3.875800     -0.9322000      0.2685000    
 C   -4.915100      -1.264700     -0.1087000    
 C   -4.973300       1.125700     -0.4538000    
 C    3.795400       1.462700     -3.9900001E-02
 C    4.508000      0.2641000     -7.0500001E-02
 C   -6.258000      -1.243200      0.2678000    
 C   -6.316200       1.147400     -7.7100001E-02
 C   -6.958500     -3.7099998E-02  0.2836000    
 C    4.550600      -2.839300     -0.9818000    
 H   -2.070200     -0.7129000       1.050600    
 H   -2.140300       1.039000      0.8263000    
 H   -2.608300      -1.052800      -1.375100    
 H   -2.654400      0.6770000      -1.623800    
 H   0.2131000     -0.5287000       1.796800    
 H   0.1520000       1.211600       1.581800    
 H  -0.3450000      0.8479000     -0.7554000    
 H    2.041100      -1.863900      0.9007000    
 H    1.887500       2.395000      0.3536000    
 H   -4.379800      -2.210600     -0.1151000    
 H   -4.483900       2.055700     -0.7309000    
 H   -6.758100      -2.165200      0.5493000    
 H   -6.861700       2.086500     -6.4199999E-02
 H   -8.004100     -2.0199999E-02  0.5771000    
 H    6.101500       1.151300     -0.6328000    
 H    3.529000      -3.126600      -1.249700    
 H    5.144600      -3.747100     -0.8451000    
 H    4.997400      -2.246600      -1.786300    


%chk=000050181-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050181

0 1
Br 5.546271 2.608832 0.803532
O 3.812821 -2.355141 -0.463278
O 5.890863 -0.396201 -0.101555
N -0.573291 0.250053 -0.022825
C -2.006627 0.370887 0.310394
C -2.874264 -0.390091 -0.724311
C 0.348447 0.878637 0.945805
C 1.807019 0.571607 0.623690
C -4.354942 -0.326671 -0.382057
C 2.190536 -0.711341 0.168124
C 2.799084 1.565892 0.797968
C 3.538222 -1.030499 -0.097485
C -4.942371 -1.299735 0.467670
C -5.172031 0.727810 -0.865449
C 4.142127 1.239057 0.540431
C 4.553125 -0.043668 0.106949
C -6.307050 -1.222249 0.826099
C -6.537661 0.810388 -0.510318
C -7.110288 -0.165062 0.338547
C 4.720857 -2.599488 -1.605364
H -2.166335 -0.070836 1.313798
H -2.359122 1.431141 0.369501
H -2.519195 -1.436480 -0.757830
H -2.696754 0.047274 -1.727636
H 0.096695 0.465948 1.944983
H 0.219712 1.986767 1.028194
H -0.373346 0.551939 -0.986805
H 1.429359 -1.479859 0.008817
H 2.529423 2.573106 1.129038
H -4.326554 -2.126155 0.844501
H -4.736236 1.484696 -1.530197
H -6.744318 -1.986094 1.479339
H -7.154296 1.629926 -0.897033
H -8.169504 -0.104825 0.612878
H 6.478019 0.378507 0.112601
H 4.333934 -2.103369 -2.516263
H 4.708301 -3.691495 -1.740419
H 5.739669 -2.243811 -1.386232


