%chk=000068886.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068886

0 1
 Br  -3.441900       3.882500     -0.4649000    
 O    1.843700      0.2621000       1.033300    
 O    4.462800     -0.5467000     -0.3300000    
 O    1.598000       3.052300      0.9415000    
 O   0.2628000      -3.410100      0.1256000    
 O   -3.907700      -1.491000     -4.7899999E-02
 N   0.1302000      -1.080300      0.1751000    
 N   -1.810200      -2.433900      4.0300000E-02
 C    3.349700      0.2122000     -0.7972000    
 C    1.551000     -0.9057000      0.2530000    
 C    2.197100     -0.7139000      -1.109400    
 C    2.802000       1.076300      0.3301000    
 C    2.080200       2.319600     -0.1733000    
 C  -0.7030000      3.1800002E-02  0.1591000    
 C  -0.4147000      -2.380200      0.1150000    
 C   -2.040000     -1.9500000E-02  8.8000000E-02
 C   -2.688100      -1.360100      2.0900000E-02
 C   -2.847300       1.173200      7.5300001E-02
 C   -2.424700       2.331200     -0.4343000    
 H    3.686000      0.7930000      -1.661200    
 H    2.006500      -1.759500      0.7688000    
 H    1.507600     -0.2228000      -1.806800    
 H    2.496800      -1.670000      -1.550000    
 H    3.575600       1.355900       1.053900    
 H    1.241400       2.087500     -0.8333000    
 H    2.777400       2.960600     -0.7233000    
 H    4.745600      -1.126300      -1.057800    
 H  -0.2094000      0.9872000      0.2348000    
 H   -2.225000      -3.360600     -4.6000001E-03
 H    1.149300       3.841400      0.5929000    
 H   -3.842500       1.097900      0.5055000    
 H   -1.456500       2.475000     -0.8973000    


%chk=000068886-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068886

0 1
Br -3.841425 4.001375 0.711723
O 1.903012 0.369996 1.063181
O 4.685456 -0.289443 0.101825
O 1.108045 2.931271 0.129033
O 0.358485 -3.252816 -0.343119
O -3.897933 -1.327179 -0.657518
N 0.115597 -0.975679 0.171225
N -1.762055 -2.242909 -0.469625
C 3.508674 0.086929 -0.687963
C 1.598837 -0.918095 0.472192
C 2.468988 -1.057427 -0.808428
C 2.765544 1.154766 0.138162
C 1.954607 2.112016 -0.749687
C -0.697737 0.137830 0.320981
C -0.384817 -2.236703 -0.221693
C -2.058248 0.116498 0.058508
C -2.677773 -1.150369 -0.377784
C -2.948668 1.279269 0.184023
C -2.576590 2.517956 0.596671
H 3.814495 0.463813 -1.686530
H 1.803204 -1.707403 1.213077
H 1.845626 -0.922733 -1.709835
H 2.930587 -2.055281 -0.868975
H 3.453415 1.718812 0.786768
H 1.327776 1.550625 -1.475760
H 2.672642 2.742271 -1.315186
H 5.115175 -1.084529 -0.303196
H -0.173779 1.034449 0.666108
H -2.160006 -3.143210 -0.756377
H 0.765383 3.710151 -0.376756
H -3.991049 1.076031 -0.092251
H -1.572766 2.818817 0.909007


