%chk=000148376.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148376

0 1
 Br -0.5087000      -4.431200       1.076400    
 S  -0.4130000       2.639500      0.1504000    
 S    4.380200     -0.4650000     -0.2104000    
 S   -4.517300      0.2849000       1.461100    
 O  -0.1032000       1.610900     -0.8278000    
 O  -0.1895000       2.405000       1.566800    
 O    5.251500      -1.122500      -1.165300    
 O    4.899900     -5.1000002E-03   1.062900    
 N    2.448900       2.896700     -0.9701000    
 N   -3.368900       1.071100     -0.7173000    
 N    3.560600      0.8200000     -0.9816000    
 N   -4.708900     -0.8858000     -0.8942000    
 N   -2.805800      -2.111800     -0.3317000    
 N   -4.386500      -3.182100      -1.580000    
 C   0.4458000       4.113000     -0.3072000    
 C   -2.123100       3.080200     -5.7399999E-02
 C    1.946300       3.980600     -0.1321000    
 C   -3.021800       1.944600      0.2869000    
 C   -3.539000       1.691700       1.532300    
 C    3.034900      -1.555500      0.1437000    
 C    3.019700       1.952300     -0.3171000    
 C   -4.159200      0.1502000     -0.2117000    
 C    2.678000      -2.513200     -0.7896000    
 C    2.363200      -1.431500       1.347800    
 C    1.616300      -3.373900     -0.5102000    
 C    1.301700      -2.292200       1.627100    
 C   0.9282000      -3.263300      0.6981000    
 C   -4.030300      -2.007800     -0.9497000    
 H   0.1944000       4.321500      -1.352400    
 H   6.4599998E-02   4.927000      0.3168000    
 H   -2.262300       3.378200      -1.101400    
 H   -2.322700       3.945200      0.5831000    
 H    2.185300       3.849500      0.9310000    
 H    2.428300       4.913500     -0.4457000    
 H   -3.399500       2.239400       2.453600    
 H    3.131800       1.922600      0.7790000    
 H    3.540500      0.8154000      -2.009200    
 H    3.197000      -2.609600      -1.738200    
 H    2.632500     -0.6767000       2.080100    
 H    1.336700      -4.124000      -1.245500    
 H   0.7741000      -2.191400       2.572100    
 H   -2.371800      -1.354600      0.1836000    
 H   -2.279000      -2.977900     -0.3758000    
 H   -3.783900      -3.997500      -1.561100    
 H   -5.265000      -3.261400      -2.080500    


%chk=000148376-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148376

0 1
Br -0.473247 -4.794433 -1.386021
S -0.376372 2.817573 0.406904
S 4.214819 -0.535817 0.525800
S -4.755972 0.974935 2.313954
O 0.163147 1.283220 0.171240
O -0.305583 3.460157 1.910723
O 5.622037 -1.158603 0.014290
O 3.964771 -0.065752 2.055558
N 2.909827 3.034086 -0.786655
N -3.277801 0.690054 0.092459
N 3.915874 0.951878 -0.482621
N -4.353849 -1.364061 0.880615
N -2.938945 -1.720386 -1.027789
N -4.128598 -3.499565 -0.002409
C 0.646121 4.045397 -0.737569
C -2.324135 2.954591 -0.266810
C 2.094176 4.134707 -0.235704
C -3.171026 2.031068 0.493277
C -3.876048 2.374363 1.645118
C 2.846664 -1.734292 -0.019477
C 3.195317 2.039452 0.004578
C -4.054487 -0.040845 0.918496
C 3.262583 -2.964755 -0.553310
C 1.506277 -1.353105 0.142064
C 2.263984 -3.882318 -0.954095
C 0.512177 -2.277152 -0.257492
C 0.909985 -3.517447 -0.798030
C -3.800620 -2.163198 -0.055008
H 0.573993 3.627902 -1.754360
H 0.090263 4.991267 -0.625956
H -2.197697 2.694388 -1.327576
H -2.518298 4.021413 -0.089737
H 2.087989 4.197235 0.877356
H 2.506792 5.090478 -0.614053
H -3.911038 3.342761 2.139212
H 2.915865 1.945200 1.069349
H 4.259751 0.935782 -1.448611
H 4.327401 -3.196833 -0.655781
H 1.197774 -0.369079 0.520165
H 2.541941 -4.851552 -1.376228
H -0.542304 -2.008787 -0.149225
H -2.747296 -0.696001 -1.010435
H -2.558257 -2.337355 -1.743699
H -3.672107 -4.196192 -0.585562
H -4.744848 -3.791378 0.752658


