%chk=000149725.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149725

0 1
 Br  -5.679500       3.925900      -1.205000    
 S    5.872100      4.4999998E-03  -1.093500    
 O    7.113000      0.6087000      -1.541500    
 O    5.787400     -0.6255000      0.2091000    
 N  -0.4120000      2.5599999E-02  0.9946000    
 N    1.805200      0.7030000       2.647500    
 N   -4.089300      -1.025900     -0.7198000    
 N    4.601600       1.147100      -1.308600    
 C   -1.658900     -0.3310000      0.4131000    
 C   0.8421000      0.3075000      0.4372000    
 C   -2.565900      0.6697000      5.0000001E-02
 C   -1.968300      -1.679500      0.2093000    
 C    1.939100      0.6416000       1.242300    
 C   -3.786300      0.2714000     -0.5212000    
 C   -3.212100      -1.985900     -0.3683000    
 C    3.179100      0.9187000      0.6665000    
 C    3.332600      0.8640000     -0.7188000    
 C    1.006400      0.2551000     -0.9528000    
 C    2.246200      0.5322000      -1.528400    
 C   -2.281100       2.032700      0.2435000    
 C   -1.075800      -2.705800      0.5646000    
 C   -4.693600       1.263100     -0.8848000    
 C   -3.526100      -3.326700     -0.5738000    
 C   -3.205200       3.004500     -0.1287000    
 C   -1.413700      -4.038500      0.3486000    
 C    2.605600     -0.1546000       3.496600    
 C   0.8763000       1.634000       3.253700    
 C   -4.413800       2.618500     -0.6939000    
 C   -2.641500      -4.349100     -0.2219000    
 C    5.416700      -1.205400      -2.315600    
 H  -0.3879000     -0.1770000       1.989000    
 H    4.022500       1.196800       1.294500    
 H   0.1798000     -6.9999998E-04  -1.610800    
 H    2.354900      0.4852000      -2.608900    
 H   -1.347500       2.369200      0.6862000    
 H  -0.1093000      -2.498900       1.016600    
 H   -5.643800      0.9684000      -1.328900    
 H   -4.482100      -3.595900      -1.019200    
 H    4.541400       1.561000      -2.248700    
 H   -2.967500       4.052800      2.9500000E-02
 H  -0.7232000      -4.829400      0.6248000    
 H    3.635000      0.2127000       3.559500    
 H    2.621500      -1.180700       3.113100    
 H    2.201000     -0.1915000       4.513900    
 H    1.372700       2.187300       4.058700    
 H   2.3200000E-02   1.105400       3.690900    
 H   0.5020000       2.376000       2.539600    
 H   -2.915200      -5.385800     -0.3946000    
 H    5.356000     -0.7204000      -3.291600    
 H    6.193800      -1.973000      -2.333200    
 H    4.462500      -1.656800      -2.039300    


%chk=000149725-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149725

0 1
Br -5.157693 3.940512 -2.202783
S 5.975202 0.426559 -1.131126
O 7.343917 1.105810 -1.691076
O 5.932990 -0.350689 0.303226
N -0.321478 -0.274994 0.902707
N 1.748837 0.032024 2.615227
N -4.230486 -1.060758 -0.717031
N 4.523563 1.935639 -0.980070
C -1.588269 -0.504085 0.333454
C 0.800335 0.379815 0.373946
C -2.379135 0.546515 -0.238167
C -2.139212 -1.829113 0.401647
C 1.925222 0.511017 1.268333
C -3.690391 0.195902 -0.776473
C -3.482955 -2.045293 -0.122277
C 3.137585 1.023437 0.782378
C 3.274430 1.417877 -0.583219
C 0.925785 0.795797 -0.979791
C 2.151657 1.284602 -1.457809
C -1.987554 1.929932 -0.248245
C -1.421025 -2.954108 0.937563
C -4.501521 1.225120 -1.377837
C -4.061417 -3.359581 -0.034642
C -2.798470 2.912099 -0.810213
C -2.011808 -4.215040 1.002401
C 2.965711 -0.474802 3.292042
C 0.940677 0.919641 3.500216
C -4.053189 2.535901 -1.392469
C -3.349603 -4.417708 0.522542
C 5.391429 -0.873940 -2.441338
H -0.063593 -0.807492 1.749944
H 4.005592 1.136599 1.436266
H 0.079729 0.683750 -1.663413
H 2.246640 1.570432 -2.513076
H -1.036207 2.228398 0.199904
H -0.385268 -2.833008 1.274627
H -5.467026 0.923398 -1.790483
H -5.075242 -3.482434 -0.427181
H 4.520901 2.311678 -1.951536
H -2.490180 3.961100 -0.804507
H -1.448735 -5.062384 1.408092
H 3.638694 0.338542 3.644246
H 3.536733 -1.120457 2.605708
H 2.661706 -1.069247 4.171787
H 1.512998 1.821979 3.808802
H 0.646693 0.364137 4.408375
H 0.025823 1.249721 2.981332
H -3.800501 -5.414066 0.583850
H 5.461973 -0.385863 -3.423028
H 6.091975 -1.714614 -2.340914
H 4.364266 -1.153653 -2.168811


