%chk=000008938.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008938

0 1
 Br   7.019200     -0.3388000      0.7456000    
 O  -0.5660000      2.1500001E-02   1.797900    
 O    5.036600       1.423000      0.1022000    
 N    3.192200      0.1725000     -0.5547000    
 C   0.2998000      2.9899999E-02 -0.3887000    
 C  -0.9952000     -1.9999999E-04  0.4194000    
 C    1.190900      -1.171500     -3.8600001E-02
 C    1.061800       1.342400     -0.1519000    
 C    2.521900      -1.112400     -0.7862000    
 C    2.393600       1.350100     -0.8987000    
 C   -1.748900      -1.311100      0.1334000    
 C   -1.922900       1.211900      0.2266000    
 C    4.495300      0.3302000     -8.4299996E-02
 C   -2.284800      -1.493500      -1.116100    
 C   -2.641900       1.658900       1.306300    
 C   -1.849300      -2.236600       1.141200    
 C   -1.988100       1.790100      -1.015900    
 C    5.265400     -0.9327000      0.2085000    
 C   -2.967800      -2.681700      -1.375600    
 C   -3.482800       2.757900       1.131700    
 C   -2.532200      -3.424900      0.8816000    
 C   -2.829000       2.889400      -1.190300    
 C   -3.091400      -3.647400     -0.3768000    
 C   -3.576400       3.373200     -0.1164000    
 H   9.2399999E-02 -3.9099999E-02  -1.465300    
 H   0.7094000      -2.120100     -0.2979000    
 H    1.406500      -1.198400       1.036800    
 H    1.286000       1.475800      0.9132000    
 H   0.5001000       2.223700     -0.4705000    
 H    3.145400      -1.955300     -0.4815000    
 H    2.358900      -1.203100      -1.866800    
 H    2.226800       1.328600      -1.982200    
 H    2.939900       2.271000     -0.6711000    
 H  -0.3360000      0.9292000       2.057200    
 H   -2.189400     -0.7726000      -1.918600    
 H   -2.608400       1.186300       2.282400    
 H   -1.426000      -2.101000       2.130000    
 H   -1.429400       1.439300      -1.875400    
 H    5.383900      -1.549100     -0.6842000    
 H    4.826700      -1.485100       1.041000    
 H   -3.399300      -2.857400      -2.356700    
 H   -4.069300       3.131300       1.966100    
 H   -2.627900      -4.177700       1.658600    
 H   -2.903600       3.367600      -2.162700    
 H   -3.621900      -4.573200     -0.5793000    
 H   -4.232400       4.227900     -0.2528000    


%chk=000008938-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008938

0 1
Br 7.202674 -0.813765 0.714381
O -0.657779 0.061007 1.950736
O 5.149415 1.409677 0.061468
N 3.287444 0.179721 -0.601746
C 0.355107 0.119518 -0.313441
C -0.988522 0.065959 0.504119
C 1.227957 -1.137490 -0.069272
C 1.195195 1.387437 -0.007376
C 2.547669 -1.071405 -0.872956
C 2.498072 1.409382 -0.835291
C -1.731046 -1.260845 0.238991
C -1.934846 1.255486 0.207610
C 4.601430 0.290599 -0.153700
C -2.297065 -1.510680 -1.036899
C -2.875511 1.633364 1.201646
C -1.841182 -2.250889 1.244725
C -1.947141 1.949157 -1.029702
C 5.328556 -1.056465 0.057483
C -2.953603 -2.731149 -1.305598
C -3.792878 2.680760 0.971361
C -2.504465 -3.470595 0.977357
C -2.866091 2.997089 -1.262991
C -3.060166 -3.718556 -0.298077
C -3.791818 3.370211 -0.263339
H 0.088083 0.131662 -1.391910
H 0.681062 -2.050803 -0.366077
H 1.445889 -1.219002 1.012479
H 1.474702 1.402408 1.065152
H 0.620093 2.307353 -0.218011
H 3.171564 -1.947310 -0.635506
H 2.317368 -1.118531 -1.959654
H 2.257099 1.481621 -1.917471
H 3.135212 2.266453 -0.564849
H -0.343157 0.968147 2.194017
H -2.249490 -0.744268 -1.819353
H -2.888516 1.086701 2.150369
H -1.411049 -2.051410 2.229368
H -1.241166 1.683548 -1.824486
H 5.416952 -1.623437 -0.883120
H 4.829026 -1.675257 0.819859
H -3.390533 -2.907068 -2.295146
H -4.511854 2.954914 1.751604
H -2.586300 -4.226457 1.766867
H -2.856033 3.522114 -2.224879
H -3.574999 -4.663760 -0.503665
H -4.502960 4.183654 -0.444575


