%chk=000084995.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084995

0 1
 Br  -7.046200     -0.8272000     -0.3996000    
 O    1.738900     -0.6424000      2.3000000E-02
 O   0.8382000       1.480400      0.3850000    
 O    5.584900      0.8524000      0.3414000    
 O    4.171600      -1.313500       1.361400    
 O    3.368700       2.629500     -0.2022000    
 O    1.132700      -3.182800     -0.8250000    
 C    4.375300      0.4412000     -0.2895000    
 C    4.132300      -1.048100     -4.2199999E-02
 C    3.217500       1.282900      0.2464000    
 C    2.756300      -1.446200     -0.5873000    
 C    1.877400      0.7485000     -0.2641000    
 C    2.418200      -2.904300     -0.2994000    
 C  -0.4456000       1.142200      5.6200001E-02
 C   -1.313900      0.6890000       1.045200    
 C  -0.8732000       1.253700      -1.260000    
 C   -2.635500      0.3373000      0.7255000    
 C   -3.076400      0.4489000     -0.6145000    
 C   -2.182900      0.9091000      -1.595600    
 C   -3.529300     -0.1223000       1.706400    
 C   -4.397800      9.7300000E-02 -0.9343000    
 C   -4.838800     -0.4675000       1.370700    
 C   -5.272200     -0.3581000      5.2800000E-02
 H    4.499400      0.6202000      -1.364900    
 H    4.929700      -1.642600     -0.5003000    
 H    3.239400       1.312100       1.342500    
 H    2.708900      -1.281200      -1.671800    
 H    1.813200      0.9117000      -1.347900    
 H    2.383100      -3.113400      0.7744000    
 H    3.141000      -3.579300     -0.7669000    
 H    5.690800       1.804900      0.1759000    
 H    3.383100     -0.9177000       1.769400    
 H    2.606800       3.134200      0.1306000    
 H   0.5048000      -2.567900     -0.4084000    
 H  -0.9575000      0.6088000       2.070500    
 H  -0.2126000       1.623300      -2.038800    
 H   -2.501400       1.006800      -2.631300    
 H   -3.212000     -0.2159000       2.742900    
 H   -4.742600      0.1810000      -1.963900    
 H   -5.507600     -0.8205000       2.151700    


%chk=000084995-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084995

0 1
Br -7.533256 0.102985 -0.551310
O 2.056171 -1.032705 -0.088036
O 0.732031 0.660144 0.895776
O 5.535591 1.257281 0.501723
O 4.680165 -1.522453 0.977597
O 2.992013 2.544364 0.617561
O 1.862303 -3.229197 -1.809094
C 4.346756 0.718177 -0.135231
C 4.487624 -0.816323 -0.290141
C 3.076075 1.081300 0.660329
C 3.211127 -1.331515 -0.998940
C 1.843476 0.424707 0.016806
C 3.154715 -2.843826 -1.236519
C -0.584405 0.436196 0.408794
C -1.616672 0.895874 1.226811
C -0.858484 -0.230197 -0.828906
C -2.978758 0.717558 0.832878
C -3.273443 0.058587 -0.424287
C -2.183588 -0.404358 -1.230544
C -4.071484 1.175636 1.642598
C -4.638882 -0.120058 -0.826622
C -5.395225 0.995996 1.238127
C -5.661819 0.343577 -0.004797
H 4.226932 1.152014 -1.156794
H 5.395282 -1.038363 -0.876901
H 3.161181 0.721992 1.706587
H 3.047336 -0.800744 -1.961546
H 1.649618 0.843667 -0.997000
H 3.364951 -3.382467 -0.291786
H 3.910133 -3.133040 -1.985626
H 5.359820 2.217620 0.683633
H 3.809387 -1.523422 1.457494
H 2.258838 2.841812 1.213015
H 1.162318 -2.973279 -1.154102
H -1.373356 1.393437 2.171142
H -0.043654 -0.622895 -1.442877
H -2.398887 -0.915438 -2.175713
H -3.860114 1.674270 2.595291
H -4.861331 -0.619213 -1.774907
H -6.223785 1.346798 1.859519


