%chk=000051828.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051828

0 1
 Br   2.630700      -2.973700      0.7859000    
 O   -1.669300       1.526500       1.212700    
 O   -3.594600      1.5500000E-02  0.1041000    
 C   0.1612000      0.4376000      0.1392000    
 C    2.089000      -1.174800      0.2537000    
 C    1.914600      0.4234000      -1.678700    
 C    2.492000       1.279000      0.6249000    
 C   0.5941000     -0.9829000      0.5583000    
 C   0.4198000      0.6202000      -1.370100    
 C   0.9942000       1.471300      0.9230000    
 C    2.337200     -0.9945000      -1.252800    
 C    2.912800     -0.1424000       1.041300    
 C    2.734200       1.456200     -0.8846000    
 C   -1.295400      0.6441000      0.4414000    
 C   -2.263300     -0.2902000     -0.2532000    
 C   -4.528200     -0.8495000     -0.5360000    
 C   -5.929000     -0.4658000     -0.1090000    
 H    2.092400      0.5561000      -2.751700    
 H    3.078600       2.017200       1.183200    
 H   0.3877000      -1.142300       1.625700    
 H   2.1299999E-02  -1.748100      2.0400001E-02
 H   9.5500000E-02   1.616800      -1.696900    
 H  -0.1471000     -0.1028000      -1.967600    
 H   0.8220000       1.370800       2.002900    
 H   0.6979000       2.493900      0.6534000    
 H    1.773500      -1.737700      -1.831800    
 H    3.396900      -1.151200      -1.493400    
 H    3.986400     -0.2786000      0.8558000    
 H    2.764900     -0.2697000       2.121700    
 H    3.801600       1.338600      -1.108400    
 H    2.454300       2.471400      -1.191700    
 H   -2.054100      -1.319700      4.7100000E-02
 H   -2.164500     -0.1800000      -1.335500    
 H   -4.434600     -0.7546000      -1.623600    
 H   -4.326300      -1.887800     -0.2500000    
 H   -6.673200      -1.111700     -0.5834000    
 H   -6.035400     -0.5430000      0.9780000    
 H   -6.142200      0.5744000     -0.3764000    


%chk=000051828-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051828

0 1
Br 2.562282 -3.140900 0.516928
O -1.758728 1.856876 0.726976
O -3.665687 0.071589 -0.059244
C 0.168008 0.493924 0.078286
C 2.072029 -1.162273 0.101787
C 2.003237 0.585868 -1.694203
C 2.528056 1.225437 0.695901
C 0.566251 -0.990478 0.383964
C 0.489377 0.801188 -1.427232
C 1.018091 1.442364 0.972225
C 2.383079 -0.895048 -1.383115
C 2.914159 -0.253004 1.014150
C 2.837225 1.533449 -0.793015
C -1.341720 0.752396 0.303892
C -2.298347 -0.397493 -0.042819
C -4.622777 -1.031372 -0.262150
C -6.023767 -0.423808 -0.251820
H 2.216452 0.791563 -2.761046
H 3.119910 1.894484 1.349451
H 0.352971 -1.234352 1.441589
H -0.001786 -1.696098 -0.249190
H 0.205102 1.846427 -1.653534
H -0.106948 0.143608 -2.091108
H 0.789070 1.249887 2.038614
H 0.728455 2.489284 0.772341
H 1.806400 -1.586540 -2.025155
H 3.456577 -1.065408 -1.583111
H 3.990993 -0.422094 0.830444
H 2.712322 -0.484376 2.076344
H 3.917636 1.397023 -0.996761
H 2.591097 2.588961 -1.020408
H -2.158027 -1.201832 0.719382
H -2.006846 -0.837262 -1.026229
H -4.414006 -1.540446 -1.230421
H -4.505787 -1.782116 0.551863
H -6.787010 -1.210834 -0.392465
H -6.213473 0.085193 0.708382
H -6.128271 0.318214 -1.061591


