%chk=000164151.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164151

0 1
 Br  -8.527900      0.3073000     -0.6657000    
 S   -2.165600      -1.216300      0.3940000    
 P    5.575000      -1.246000     -0.7734000    
 O    2.082600     -0.3992000       1.630700    
 O    4.046900      -1.741900      -1.034600    
 O    5.649000     -0.8542000      0.8022000    
 O    1.644800      -2.942400     -0.2759000    
 O    5.670700      0.1794000      -1.535300    
 O    6.623300      -2.229300      -1.209700    
 O   -4.613600      -2.893500      0.3336000    
 O   -7.111200      -2.271100     -0.1080000    
 N   0.1208000      0.2614000      0.4522000    
 N   -1.722400       1.429600     -2.0800000E-02
 N    1.771500       2.042000      0.3617000    
 N   0.7380000       4.187100     -0.1736000    
 N   -1.613900       4.422400     -0.5478000    
 C    3.040800     -0.9847000     -0.4009000    
 C    3.281800     -0.9535000       1.093700    
 C    1.631900      -1.529300     -0.4560000    
 C   0.9988000     -0.8624000      0.7800000    
 C    4.545700     -0.1791000       1.408400    
 C   0.5240000       1.556500      0.2739000    
 C   -1.238100      0.2388000      0.2634000    
 C  -0.6320000       2.262800     -1.7500000E-02
 C  -0.4941000       3.628300     -0.2457000    
 C    1.778900       3.371200      0.1212000    
 C   -3.837800     -0.6019000      4.4399999E-02
 C   -4.853000      -1.715900      0.1008000    
 C   -6.301800      -1.354500     -0.1554000    
 C   -6.612900      8.8600002E-02 -0.4401000    
 H    3.039100      2.6000001E-02 -0.8242000    
 H    3.401400      -1.974300       1.483900    
 H    1.127100      -1.316500      -1.403200    
 H   0.4265000      -1.572200       1.385400    
 H    4.500400      0.8533000       1.046400    
 H    4.712200     -0.1351000       2.489200    
 H   0.7191000      -3.239400     -0.2521000    
 H    5.045800      0.8982000      -1.303000    
 H    2.750200       3.851700      0.1704000    
 H   -4.094800      0.1501000      0.7956000    
 H   -3.849300     -0.1632000     -0.9573000    
 H   -2.534400       4.007800     -0.6024000    
 H   -1.487800       5.412200     -0.7097000    
 H   -6.330200      0.7250000      0.3999000    
 H   -6.148200      0.4128000      -1.372700    


%chk=000164151-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164151

0 1
Br -9.324908 0.010309 0.641433
S -2.267339 -1.089576 0.231534
P 5.582913 -0.423819 -0.405070
O 1.709361 -0.883752 1.646961
O 4.377096 -1.707989 -0.790646
O 5.449075 -0.431018 1.346505
O 1.796927 -3.365817 -0.174514
O 4.831924 1.020411 -0.914346
O 7.028476 -0.701669 -0.945855
O -5.000884 -2.103405 0.675341
O -6.413991 1.111527 0.121228
N 0.296436 0.039743 -0.089882
N -1.455104 1.486152 -0.506754
N 2.184226 1.697682 -0.610388
N 1.321623 3.913190 -1.222821
N -0.989878 4.374553 -1.330387
C 3.127570 -1.241329 -0.196358
C 3.125234 -1.237187 1.347319
C 1.828863 -1.959135 -0.546279
C 0.899120 -1.207585 0.453750
C 4.089527 -0.181515 1.912354
C 0.877057 1.287816 -0.459266
C -1.107048 0.245744 -0.140593
C -0.232067 2.143395 -0.699758
C 0.018653 3.490556 -1.087847
C 2.308283 3.017063 -0.987728
C -3.818797 -0.020320 0.138953
C -5.034974 -0.872404 0.424817
C -6.393498 -0.111609 0.388192
C -7.600433 -0.983246 0.696352
H 2.932074 -0.209373 -0.523423
H 3.350276 -2.242339 1.747237
H 1.516264 -1.804977 -1.596392
H 0.071536 -1.865611 0.767173
H 3.742146 0.838990 1.663692
H 4.231163 -0.273064 2.998956
H 2.569820 -3.823598 -0.593933
H 3.823775 1.196461 -0.743528
H 3.332798 3.377529 -1.118979
H -3.734245 0.811620 0.859064
H -3.881241 0.444532 -0.859902
H -1.960566 4.081249 -1.236475
H -0.756761 5.327142 -1.605998
H -7.669374 -1.811287 -0.029276
H -7.503809 -1.427441 1.701537


