%chk=000089071.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089071

0 1
 Br -0.2526000      -3.328300     -0.4640000    
 O  -0.8488000     -0.3010000     -0.6647000    
 O   -3.896900      0.2432000       1.127000    
 O   -1.253600     -0.2368000       1.629800    
 N   0.8620000       1.800200     -0.3855000    
 C    2.692400      0.2843000      1.2900000E-02
 C    3.149900      -1.038400      0.1381000    
 C    1.333200      0.5451000     -0.2595000    
 C   0.4729000     -0.5406000     -0.3982000    
 C    2.267600      -2.105400     -5.4000001E-03
 C   0.9274000      -1.855800     -0.2737000    
 C    3.558800       1.376900      0.1526000    
 C    4.583500      -1.359500      0.4256000    
 C    3.076200       2.671300      2.3200000E-02
 C    1.731200       2.826900     -0.2435000    
 C   -1.641900     -0.1667000      0.4733000    
 C   -3.057600      9.0599999E-02  0.1053000    
 C   -3.617400      0.1919000      -1.102500    
 C   -4.983800      0.4402000     -0.8303000    
 C   -5.102600      0.4619000      0.5398000    
 H    2.623700      -3.128300      9.1700003E-02
 H    4.617300       1.250000      0.3627000    
 H    4.757600      -2.439500      0.4891000    
 H    5.230600     -0.9780000     -0.3711000    
 H    4.889000     -0.9299000       1.385500    
 H    3.731800       3.527800      0.1281000    
 H    1.297200       3.815100     -0.3548000    
 H   -3.149900      0.1067000      -2.072800    
 H   -5.782400      0.5850000      -1.543500    
 H   -5.931600      0.6124000       1.216100    


%chk=000089071-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089071

0 1
Br -0.029567 -3.718663 -0.293578
O -0.939836 -0.728901 -0.344630
O -3.978694 0.739415 1.063868
O -1.279891 0.066608 1.859416
N 0.624560 1.557030 -0.126593
C 2.701141 0.192005 0.047578
C 3.304526 -1.118568 0.054630
C 1.265691 0.330817 -0.076882
C 0.448058 -0.852065 -0.164372
C 2.474462 -2.238844 -0.060219
C 1.057261 -2.106382 -0.163786
C 3.457918 1.404617 0.152943
C 4.806663 -1.290387 0.182305
C 2.804758 2.638733 0.120094
C 1.382649 2.664554 -0.030470
C -1.703684 -0.100641 0.704526
C -3.022760 0.216263 0.164201
C -3.581826 0.119915 -1.107286
C -4.937059 0.597001 -1.010019
C -5.136843 0.960308 0.316709
H 2.908772 -3.243036 -0.061563
H 4.546352 1.358431 0.258291
H 5.083781 -2.356991 0.162780
H 5.347531 -0.788532 -0.642324
H 5.185483 -0.863623 1.130274
H 3.359131 3.578512 0.201840
H 0.847542 3.620497 -0.072217
H -3.064537 -0.247960 -1.989868
H -5.668275 0.664146 -1.812573
H -5.980108 1.367041 0.868224


