%chk=000138388.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138388

0 1
 Br  2.0800000E-02 -0.8566000      -2.928800    
 C   6.0000001E-03 -0.7174000      -1.040800    
 C   0.6348000      0.3876000     -0.4666000    
 C  -0.6297000      0.4276000     -0.4674000    
 C  -1.9900000E-02  -1.970000     -0.2741000    
 C    1.907900       1.002900     -0.1258000    
 C   -1.852300       1.064500     -0.1581000    
 C    1.175300      -2.601800      0.1110000    
 C   -1.240300      -2.565300      8.9199997E-02
 C    2.003500       1.836600      0.9885000    
 C   -1.886800       2.321800      0.4930000    
 C    3.033400      0.7595000     -0.9133000    
 C   -3.097100      0.4739000     -0.4856000    
 C    1.150800      -3.792700      0.8369000    
 C   -1.264800      -3.756000      0.8153000    
 C    3.224300       2.427000       1.315200    
 C   -3.093800       2.950600      0.7987000    
 C    4.254100       1.349800     -0.5864000    
 C   -4.304200       1.102800     -0.1800000    
 C  -6.9100000E-02  -4.369600       1.189100    
 C    4.349500       2.183600      0.5279000    
 C   -4.302400       2.341200      0.4621000    
 H    2.138300      -2.176700     -0.1607000    
 H   -2.189400      -2.137400     -0.2038000    
 H    1.142300       2.030600       1.622000    
 H  -0.9611000       2.825400      0.7614000    
 H    2.980900      0.1119000      -1.784500    
 H   -3.139400     -0.4653000      -1.029200    
 H    2.081600      -4.272000       1.125600    
 H   -2.214500      -4.209200       1.084300    
 H    3.299400       3.074100       2.184300    
 H   -3.092700       3.915800       1.296600    
 H    5.130700       1.159900      -1.198900    
 H   -5.245400      0.6340000     -0.4521000    
 H  -8.8200003E-02  -5.297800       1.752600    
 H    5.300200       2.642700      0.7828000    
 H   -5.242200       2.832200      0.6972000    


%chk=000138388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138388

0 1
Br -0.038268 -0.919858 -2.881080
C -0.019606 -0.732988 -0.735539
C 0.679587 0.475073 -0.207941
C -0.684424 0.490449 -0.197102
C -0.029179 -2.118475 -0.166146
C 1.958201 1.112485 -0.001049
C -1.944111 1.159762 0.024108
C 1.189592 -2.782663 0.127706
C -1.256653 -2.776044 0.105932
C 2.068864 2.318072 0.752378
C -2.012944 2.376767 0.764163
C 3.135254 0.540488 -0.566512
C -3.144015 0.609699 -0.514318
C 1.180911 -4.078419 0.687490
C -1.265186 -4.071600 0.665671
C 3.324182 2.927370 0.941299
C -3.249748 3.018844 0.965813
C 4.386967 1.159883 -0.382703
C -4.377208 1.261364 -0.317464
C -0.046355 -4.728226 0.956638
C 4.487624 2.351289 0.375141
C -4.436183 2.464237 0.426524
H 2.141701 -2.282828 -0.080188
H -2.201912 -2.271328 -0.120773
H 1.170088 2.764132 1.191665
H -1.096181 2.806822 1.181684
H 3.047241 -0.366680 -1.174286
H -3.088333 -0.306733 -1.111766
H 2.128141 -4.581212 0.912422
H -2.218987 -4.569243 0.873618
H 3.400929 3.850246 1.526485
H -3.294275 3.950788 1.539867
H 5.284173 0.719132 -0.830380
H -5.292276 0.836918 -0.744259
H -0.053014 -5.735648 1.387595
H 5.462723 2.828952 0.520791
H -5.396821 2.967370 0.582116


