%chk=000017812.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017812

0 1
 Br  -8.407500      0.4553000      0.1673000    
 O    7.012900      0.7306000      0.1256000    
 O    6.067300      -1.338300      7.2200000E-02
 C  -0.4304000      0.5000000     -9.0800002E-02
 C   -1.688500     -0.3751000     -9.4599999E-02
 C   0.8691000     -0.3087000     -8.7099999E-02
 C   -3.022600      0.3762000     -4.2700000E-02
 C    2.125700      0.5687000     -8.9900002E-02
 C   -4.242800     -0.5481000     -2.6000001E-02
 C    3.426500     -0.2379000     -8.5000005E-03
 C   -5.546000      0.2591000      8.8999998E-03
 C    4.666900      0.6566000     -1.9700000E-02
 C   -6.788900     -0.6171000      3.3100002E-02
 C    5.958300     -0.1216000      5.2400000E-02
 H  -0.4484000       1.155700     -0.9698000    
 H  -0.4515000       1.151800      0.7912000    
 H   -1.674500      -1.005900     -0.9925000    
 H   -1.641100      -1.058200      0.7631000    
 H   0.8849000     -0.9563000      0.7982000    
 H   0.8891000     -0.9683000     -0.9632000    
 H   -3.085200       1.046400     -0.9088000    
 H   -3.037700       1.012200      0.8510000    
 H    2.134000       1.180900      -1.000200    
 H    2.081800       1.262300      0.7590000    
 H   -4.194100      -1.206400      0.8495000    
 H   -4.232300      -1.188700     -0.9159000    
 H    3.423100     -0.8471000      0.9040000    
 H    3.473400     -0.9392000     -0.8511000    
 H   -5.539700      0.9095000      0.8930000    
 H   -5.585100      0.9241000     -0.8634000    
 H    4.682800       1.251600     -0.9398000    
 H    4.631100       1.335800      0.8398000    
 H   -6.881900      -1.210000     -0.8810000    
 H   -6.792500      -1.286500      0.8980000    
 H    7.866700      0.2513000      0.1874000    


%chk=000017812-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017812

0 1
Br -8.548901 0.445638 -0.037285
O 7.101401 0.769441 0.018113
O 6.148357 -1.344438 -0.068010
C -0.441475 0.473700 -0.021273
C -1.698887 -0.424626 -0.019512
C 0.879617 -0.328116 -0.014758
C -3.019453 0.377584 -0.026130
C 2.137809 0.568841 -0.021978
C -4.275837 -0.524400 -0.020057
C 3.452329 -0.241692 -0.010832
C -5.591110 0.297334 -0.034235
C 4.694947 0.668329 -0.019459
C -6.813861 -0.621454 -0.027341
C 6.001001 -0.102834 -0.025122
H -0.464419 1.135128 -0.912688
H -0.468335 1.143712 0.863530
H -1.671700 -1.094243 -0.904533
H -1.675037 -1.086006 0.871751
H 0.904591 -0.986827 0.878283
H 0.904270 -1.000914 -0.897271
H -3.045225 1.035650 -0.919349
H -3.046429 1.048867 0.857100
H 2.113332 1.224604 -0.917814
H 2.109564 1.244125 0.859044
H -4.252840 -1.177267 0.877056
H -4.246328 -1.198348 -0.901262
H 3.482696 -0.896894 0.880905
H 3.486236 -0.917406 -0.886713
H -5.622653 0.965865 0.846970
H -5.616909 0.944479 -0.931528
H 4.693905 1.333459 -0.906021
H 4.703164 1.344924 0.857441
H -6.876032 -1.255354 -0.926031
H -6.876394 -1.240856 0.881412
H 7.941507 0.234693 0.006295


