%chk=000019138.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019138

0 1
 Br   3.257200     -0.4535000      -2.247700    
 O    1.719100       1.655900      0.3587000    
 O   -4.603600      0.3170000      0.4759000    
 N   0.8491000     -0.4357000     -0.2008000    
 C    3.283900     -7.1900003E-02 -0.2941000    
 C    4.352600       1.023700     -5.4499999E-02
 C    3.566900      -1.398200      0.4396000    
 C    1.868900      0.4911000     -7.7000000E-03
 C    5.799300      0.6309000     -0.3395000    
 C    3.519100      -1.278300       1.958900    
 C  -0.5425000     -0.2442000     -2.7799999E-02
 C   -1.407100      -1.298000     -0.2718000    
 C   -1.009700      0.9940000      0.3809000    
 C   -3.265700      0.1325000      0.3086000    
 C   -2.778600      -1.108300     -0.1026000    
 C   -2.381200       1.183700      0.5502000    
 C   -5.474000     -0.4579000     -0.3476000    
 C   -6.753800      0.3171000     -0.5786000    
 H    4.293900       1.367300      0.9863000    
 H    4.120900       1.906500     -0.6664000    
 H    2.854100      -2.177300      0.1441000    
 H    4.547600      -1.794000      0.1491000    
 H    5.950200      0.3147000      -1.374700    
 H    6.135100     -0.1715000      0.3233000    
 H    6.453900       1.491200     -0.1627000    
 H    2.540800     -0.9315000       2.304800    
 H    3.706000      -2.255900       2.415300    
 H    4.283000     -0.5893000       2.330600    
 H    1.109700      -1.359200     -0.5354000    
 H   -1.037100      -2.269900     -0.5865000    
 H  -0.3956000       1.857100      0.5879000    
 H   -3.429900      -1.960100     -0.2742000    
 H   -2.756300       2.152100      0.8706000    
 H   -5.031500     -0.6621000      -1.330700    
 H   -5.699500      -1.403800      0.1572000    
 H   -7.450600     -0.2534000      -1.199200    
 H   -7.240200      0.5509000      0.3742000    
 H   -6.542800       1.272300      -1.070700    


%chk=000019138-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019138

0 1
Br 3.399073 -1.257989 -2.054450
O 1.835781 1.310234 0.865646
O -4.691502 0.477325 0.180240
N 0.873287 -0.372875 -0.457516
C 3.363908 -0.270626 -0.175460
C 4.399488 0.870353 -0.265837
C 3.688799 -1.385590 0.856916
C 1.940031 0.306844 0.089241
C 5.873237 0.435948 -0.364875
C 3.763638 -0.866586 2.315156
C -0.521704 -0.131106 -0.281252
C -1.421810 -0.970287 -0.983812
C -1.039800 0.895528 0.557283
C -3.327589 0.216758 -0.022980
C -2.816618 -0.805745 -0.861827
C -2.430022 1.059500 0.678481
C -5.666599 -0.371100 -0.532424
C -7.055100 0.120224 -0.132239
H 4.241377 1.491516 0.636774
H 4.134373 1.514244 -1.124202
H 2.917912 -2.175150 0.784834
H 4.649910 -1.851044 0.575606
H 6.047022 -0.205901 -1.246711
H 6.206055 -0.113136 0.534174
H 6.516653 1.328518 -0.463869
H 2.824126 -0.379317 2.625284
H 3.956469 -1.716451 2.994169
H 4.580572 -0.135474 2.446318
H 1.122926 -1.114113 -1.122715
H -1.032685 -1.763246 -1.635414
H -0.350988 1.549639 1.094031
H -3.481889 -1.471432 -1.418563
H -2.844284 1.844961 1.317910
H -5.506544 -0.277976 -1.626697
H -5.514968 -1.431450 -0.241597
H -7.831840 -0.482364 -0.637256
H -7.198440 0.034168 0.958251
H -7.190654 1.177198 -0.417617


