%chk=000025152.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025152

0 1
 Br   4.257500       2.462500      1.9999999E-04
 O   -1.411300      0.8617000       2.372300    
 O   -1.412600      0.8584000      -2.373400    
 O    1.271600       3.027500     -5.0000002E-04
 N   0.6602000     -0.5575000     -9.9999997E-05
 C  -0.9216000       1.262100     -6.9999998E-04
 C   -1.693600      0.7336000       1.195700    
 C   -1.693800      0.7322000      -1.196400    
 C   0.4941000      0.7850000     -5.0000002E-04
 C   -2.872500      2.2700001E-02  0.6962000    
 C   -2.872700      2.2000000E-02 -0.6960000    
 C    1.533100       1.693500     -6.9999998E-04
 C   -3.873500     -0.5925000       1.422300    
 C   -3.873800     -0.5939000      -1.421500    
 C    1.915900      -1.043700       0.000000    
 C    3.042600     -0.1950000     -9.9999997E-05
 C    2.825800       1.189500     -5.0000002E-04
 C   -4.896500      -1.218800      0.7050000    
 C   -4.896700      -1.219400     -0.7034000    
 C    2.131800      -2.418900      5.0000002E-04
 C    4.339200     -0.7368000      1.9999999E-04
 C    3.420800      -2.957900      6.9999998E-04
 C    4.526100      -2.116100      6.0000003E-04
 H   -1.029300       2.352400     -1.4000000E-03
 H   -3.874800     -0.5961000       2.506300    
 H   -3.875300     -0.5984000      -2.505400    
 H   -5.703100      -1.714000       1.239300    
 H   -5.703500      -1.714900      -1.237100    
 H    1.282400      -3.099700      6.0000003E-04
 H    5.233400     -0.1212000      9.9999997E-05
 H    3.557300      -4.035400      1.0000000E-03
 H    5.529100      -2.531800      7.9999998E-04
 H    2.118600       3.505500     -5.0000002E-04


%chk=000025152-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025152

0 1
Br 4.341499 2.569860 -0.000621
O -1.418854 0.830594 2.431039
O -1.419102 0.828384 -2.431701
O 1.213690 3.030313 -0.000912
N 0.739719 -0.601673 -0.000042
C -0.925332 1.186956 -0.000524
C -1.736289 0.681050 1.226896
C -1.736423 0.679956 -1.227390
C 0.513079 0.719425 -0.000373
C -2.963237 0.006400 0.708875
C -2.963306 0.005746 -0.708633
C 1.582000 1.690886 -0.000555
C -4.020569 -0.576050 1.438643
C -4.020703 -0.577385 -1.437761
C 2.043231 -1.066796 0.000142
C 3.195151 -0.174809 -0.000005
C 2.900727 1.224254 -0.000367
C -5.081162 -1.163237 0.712532
C -5.081228 -1.163900 -0.711007
C 2.256800 -2.480247 0.000503
C 4.507891 -0.742918 0.000217
C 3.550255 -3.006405 0.000714
C 4.679737 -2.129625 0.000570
H -0.936247 2.294313 -0.001001
H -4.006080 -0.569631 2.532988
H -4.006319 -0.571974 -2.532113
H -5.916692 -1.627094 1.248038
H -5.916808 -1.628253 -1.246002
H 1.369183 -3.119811 0.000607
H 5.377163 -0.077551 0.000108
H 3.704371 -4.090442 0.000993
H 5.690951 -2.550350 0.000736
H 2.017806 3.616614 -0.000993


