%chk=000104287.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104287

0 1
 Br  -2.153700      -2.896300      -1.720800    
 O    3.491600       3.171700      -1.194300    
 O   -2.965000       1.959500       2.451900    
 O   -1.084500      0.9239000       1.993300    
 O   -7.051400      0.7099000      0.2870000    
 O   -7.072000     -0.9192000      -1.184300    
 N    5.182200     -0.9558000      0.3447000    
 N    1.512400       1.913500     -0.9578000    
 N  -0.3116000     -0.1887000     -0.4298000    
 N  -0.9471000     -0.9103000      0.3730000    
 N   -2.316100       1.087100       1.828600    
 N   -6.464400     -0.1845000     -0.3685000    
 C    3.799900     -0.7569000      0.1481000    
 C    5.918600     -0.1229000       1.274700    
 C    5.887300      -1.986500     -0.3909000    
 C    3.330200      0.4753000     -0.3066000    
 C    2.902500      -1.792600      0.4083000    
 C    1.963000      0.6718000     -0.5011000    
 C    1.065600     -0.3637000     -0.2407000    
 C    5.883500     -0.7329000       2.662700    
 C    6.404300      -1.430300      -1.703800    
 C    1.535300      -1.595900      0.2140000    
 C   -2.328400     -0.7344000      0.1831000    
 C    2.273100       3.047900      -1.264500    
 C   -3.001800      0.2525000      0.9020000    
 C   -3.023700      -1.539800     -0.7180000    
 C   -4.372600      0.4344000      0.7195000    
 C   -5.069000     -0.3709000     -0.1817000    
 C   -4.394600      -1.357900     -0.9005000    
 C    1.406100       4.191700      -1.727700    
 H    5.520700      0.8975000       1.314500    
 H    6.962800     -2.7899999E-02  0.9528000    
 H    6.734100      -2.359200      0.1982000    
 H    5.249300      -2.855800     -0.5874000    
 H    4.076800       1.230000     -0.5064000    
 H    3.251200      -2.757000      0.7685000    
 H    6.459000     -0.1185000       3.362300    
 H    6.311000      -1.741100       2.665700    
 H    4.857600     -0.8037000       3.039300    
 H    6.956400      -2.200600      -2.251300    
 H    7.077400     -0.5822000      -1.540300    
 H    5.582200      -1.086300      -2.340300    
 H   0.8771000      -2.438600      0.4103000    
 H   0.5043000       1.988800      -1.077300    
 H   -4.902500       1.202800       1.277700    
 H   -4.922100      -1.994400      -1.607700    
 H   0.6739000       4.439800     -0.9542000    
 H    2.025900       5.071100      -1.923400    
 H   0.8855000       3.911000      -2.647600    


%chk=000104287-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104287

0 1
Br -1.772720 0.697042 -2.701332
O 3.612077 3.390483 -0.985307
O -3.809837 -1.808124 3.054960
O -1.841338 -0.684219 2.775017
O -7.496003 -0.694813 0.090372
O -7.055845 0.101198 -2.008483
N 5.299191 -1.007304 0.264770
N 1.642523 2.177175 -0.591686
N -0.164709 0.324131 -0.017206
N -1.099806 -0.541932 0.288312
N -2.994978 -1.086544 2.353740
N -6.684215 -0.297160 -0.833943
C 3.949645 -0.704517 0.207901
C 6.338551 -0.031036 -0.150299
C 5.796399 -2.318825 0.747231
C 3.514981 0.607956 -0.170684
C 2.951435 -1.703557 0.529699
C 2.147761 0.914246 -0.233146
C 1.155521 -0.093626 0.082479
C 6.760973 0.928041 0.984845
C 5.878915 -3.385866 -0.367602
C 1.599118 -1.396182 0.465121
C -2.436974 -0.293676 0.019989
C 2.346860 3.332078 -0.943684
C -3.422793 -0.696990 0.993641
C -2.964538 0.135126 -1.251225
C -4.799606 -0.721642 0.731099
C -5.241806 -0.299218 -0.533817
C -4.333669 0.134282 -1.530472
C 1.450512 4.520342 -1.277145
H 5.977832 0.540241 -1.023123
H 7.214125 -0.611558 -0.494687
H 6.801138 -2.150580 1.176039
H 5.162179 -2.672375 1.578918
H 4.217898 1.406872 -0.401737
H 3.251309 -2.713208 0.819023
H 7.551359 1.612091 0.627069
H 7.156316 0.368359 1.851651
H 5.909485 1.539285 1.327874
H 6.285893 -4.330242 0.037116
H 6.540364 -3.050812 -1.186401
H 4.884157 -3.593040 -0.798510
H 0.839322 -2.143209 0.714430
H 0.611698 2.203834 -0.579624
H -5.506494 -1.048678 1.497083
H -4.724317 0.459051 -2.498027
H 0.803241 4.785109 -0.420920
H 2.083758 5.383259 -1.527179
H 0.795414 4.294134 -2.138841


