%chk=000139541.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139541

0 1
 Br   4.628200       1.147900     -0.2392000    
 C   0.8140000     -0.5938000      0.3199000    
 C  -0.3542000      0.1709000      0.1672000    
 C   -1.578400     -0.4834000     -0.1079000    
 C    2.141900      3.4899998E-02  0.6110000    
 C   0.7756000      -1.983500      0.2033000    
 C  -0.3337000       1.570400      0.2814000    
 C   -1.598500      -1.883000     -0.2224000    
 C  -0.4284000      -2.626800     -6.7699999E-02
 C   -2.746500      0.2813000     -0.2605000    
 C    2.891900      0.3799000     -0.6689000    
 C   -1.503800       2.314300      0.1271000    
 C   -2.707900       1.671100     -0.1433000    
 H    2.745600     -0.6703000       1.201000    
 H    2.050600      0.9012000       1.275500    
 H    1.677500      -2.579400      0.3176000    
 H   0.5762000       2.129700      0.4759000    
 H   -2.528400      -2.407100     -0.4339000    
 H  -0.4577000      -3.708700     -0.1595000    
 H   -3.698900     -0.2004000     -0.4727000    
 H    3.088000     -0.5031000      -1.284600    
 H    2.364300       1.124300      -1.272200    
 H   -1.474500       3.396600      0.2144000    
 H   -3.618300       2.250800     -0.2644000    


%chk=000139541-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139541

0 1
Br 4.641650 1.369220 -0.329379
C 0.857537 -0.661688 0.371451
C -0.325077 0.151738 0.183893
C -1.587867 -0.498463 -0.116438
C 2.219729 -0.029750 0.646345
C 0.752954 -2.055507 0.264208
C -0.308754 1.584830 0.285545
C -1.641434 -1.927645 -0.219031
C -0.491257 -2.693507 -0.029543
C -2.764189 0.301126 -0.304701
C 2.840500 0.474177 -0.669137
C -1.470760 2.337105 0.098085
C -2.711364 1.691904 -0.202620
H 2.896398 -0.775154 1.098889
H 2.143432 0.808861 1.360974
H 1.647665 -2.672268 0.413134
H 0.627474 2.101092 0.523235
H -2.600513 -2.407688 -0.446944
H -0.533659 -3.785476 -0.102777
H -3.711538 -0.203141 -0.530356
H 3.061440 -0.344808 -1.369658
H 2.233302 1.246956 -1.163265
H -1.435796 3.428713 0.183477
H -3.615274 2.293170 -0.348289


