%chk=000089005.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089005

0 1
 Br   5.900500       3.594100     -0.4099000    
 Br   4.768100      -4.210300      0.1409000    
 O   -1.501300      0.7229000      0.4638000    
 O   -1.820900      -1.068200     -0.9948000    
 N    3.978900     -0.1018000      2.4000001E-03
 C    4.836200      0.9392000     -0.5289000    
 C    4.566300      -1.366300      0.3985000    
 C    2.589300      0.1081000      0.1198000    
 C    1.867700     -0.5428000       1.120600    
 C    1.936000      0.9657000     -0.7654000    
 C    4.757200       2.193600      0.3196000    
 C    3.984900      -2.511500     -0.4079000    
 C  -0.1243000      0.5153000      0.3476000    
 C   0.4931000     -0.3367000       1.235900    
 C   0.5613000       1.172000     -0.6499000    
 C   -3.693100      0.1096000     -0.1052000    
 C   -4.643400     -0.9067000     -0.2036000    
 C   -2.273400     -0.1683000     -0.2760000    
 C   -4.096200       1.418200      0.1605000    
 C   -5.997100     -0.6142000     -3.6800001E-02
 C   -4.239700      -2.317200     -0.4873000    
 C   -5.449800       1.710700      0.3274000    
 C   -6.400200      0.6944000      0.2287000    
 H    4.591800       1.147100      -1.577800    
 H    5.880700      0.6021000     -0.5545000    
 H    4.444300      -1.531500       1.475900    
 H    5.653500      -1.350300      0.2474000    
 H    2.338600      -1.203700       1.841400    
 H    2.454400       1.477800      -1.569800    
 H    5.106600       2.011500       1.340600    
 H    3.759700       2.635600      0.3672000    
 H    4.201300      -2.403000      -1.475200    
 H    2.907600      -2.639800     -0.2827000    
 H  -6.8300001E-02 -0.8394000       2.017000    
 H   5.1500000E-02   1.836700      -1.340300    
 H   -3.384500       2.236800      0.2281000    
 H   -6.751100      -1.393300     -0.1119000    
 H   -3.895900      -2.422200      -1.521100    
 H   -5.083700      -3.005200     -0.3593000    
 H   -3.462800      -2.655100      0.2065000    
 H   -5.764500       2.730200      0.5303000    
 H   -7.454200      0.9227000      0.3573000    


%chk=000089005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089005

0 1
Br 5.905318 1.887745 -3.238057
Br 6.091373 -2.042248 3.334094
O -1.615803 -0.156677 0.439912
O -2.304548 0.194136 -1.775119
N 4.067965 -0.077138 0.102260
C 4.793889 0.125038 -1.163125
C 4.870563 -0.277690 1.320629
C 2.651792 -0.087012 0.145292
C 1.949674 -0.348078 1.362334
C 1.868900 0.162007 -1.020782
C 4.943288 1.629324 -1.466772
C 5.040998 -1.782001 1.613039
C -0.206232 -0.113055 0.228052
C 0.545560 -0.355949 1.398378
C 0.459480 0.147540 -0.992417
C -3.965925 -0.103559 0.007999
C -5.120311 -0.030162 -0.843037
C -2.593998 -0.001574 -0.569319
C -4.128134 -0.271223 1.413135
C -6.396556 -0.130168 -0.230270
C -5.051466 0.143746 -2.348777
C -5.406474 -0.365475 1.991696
C -6.549623 -0.294372 1.162671
H 4.280667 -0.383240 -1.998428
H 5.795842 -0.332804 -1.085134
H 4.409218 0.229608 2.186419
H 5.865106 0.181633 1.181715
H 2.487934 -0.552460 2.291891
H 2.347643 0.377935 -1.980244
H 5.561898 2.148582 -0.719218
H 3.973947 2.135620 -1.582252
H 5.622977 -2.297637 0.834320
H 4.080606 -2.292318 1.776165
H 0.017616 -0.557859 2.335337
H -0.108938 0.337554 -1.902609
H -3.233735 -0.324578 2.037559
H -7.286699 -0.077250 -0.867593
H -4.539462 1.081377 -2.626954
H -6.067871 0.150075 -2.778889
H -4.466336 -0.661645 -2.826092
H -5.511948 -0.492374 3.074246
H -7.553096 -0.366575 1.597046


