%chk=000158009.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158009

0 1
 Br  -1.278800       6.143300     -0.3636000    
 S   -1.673600       1.696300     -0.9100000    
 O   0.7668000      -3.054600     -0.6924000    
 O  -0.2500000     -2.5500000E-02   2.014300    
 O    3.826800      0.7538000      -1.807400    
 O    3.780100       1.837300      0.1901000    
 O   -3.805100      -2.635400      -1.236700    
 O   -1.927600      -1.705100      -2.106900    
 N  -0.7534000      -1.711800      0.4739000    
 N   -3.082200     -0.1195000       2.460000    
 N    4.315600     -0.4415000       1.561700    
 C    3.008900      -1.519100     -0.2518000    
 C    1.659300      -1.073700      0.3225000    
 C   -2.478700     -1.1400000E-02   1.129200    
 C    4.165200     -0.5784000      0.1135000    
 C   0.5356000      -2.046400     -1.9300001E-02
 C   -1.051700     -0.5661000       1.246700    
 C   -2.468700       1.465100      0.7130000    
 C   -1.824300      -2.640700      0.1085000    
 C    3.904200      0.8038000     -0.4514000    
 C   -2.501600      -2.275100      -1.187100    
 C   -1.938700       3.475700      -1.073800    
 C  -0.9280000       4.229100     -0.2330000    
 H    2.926700      -1.606800      -1.342700    
 H    3.242900      -2.527700      0.1148000    
 H    1.386900     -8.4500000E-02 -5.9000000E-02
 H    1.746600      -1.038100       1.412200    
 H   -3.111800     -0.5515000      0.4304000    
 H    5.106300     -0.9510000     -0.3059000    
 H   -1.927600       2.060800       1.455500    
 H   -3.496200       1.842100      0.6564000    
 H   -1.433100      -3.658300      3.7000000E-03
 H   -2.565800      -2.659100      0.9144000    
 H   -3.184700      -1.102500       2.709800    
 H   -4.025000      0.2677000       2.441500    
 H    5.143200      0.1164000       1.768700    
 H    4.480300      -1.358600       1.975000    
 H   -1.817400       3.738000      -2.130600    
 H   -2.969700       3.726700     -0.8019000    
 H  -0.9901000       4.000700      0.8336000    
 H   9.8800004E-02   4.083100     -0.5814000    
 H    3.658300       1.638500      -2.196400    
 H   -4.223000      -2.384900      -2.088200    


%chk=000158009-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158009

0 1
Br 1.131913 4.971769 1.359199
S -1.985638 2.290670 -0.904231
O 0.648989 -3.177402 0.094267
O -0.621512 0.437972 1.735499
O 3.870046 0.346896 -2.585687
O 2.704560 1.768276 -1.170063
O -2.974603 -3.968304 -1.378433
O -1.986200 -1.975892 -2.059684
N -0.967344 -1.597223 0.619889
N -3.724845 -0.482994 1.750288
N 4.064070 0.431308 1.077016
C 2.814598 -1.382111 -0.120269
C 1.476394 -0.902744 0.474135
C -2.828539 0.109415 0.726222
C 3.859293 -0.227474 -0.217958
C 0.408983 -1.980349 0.403614
C -1.379084 -0.321369 1.071424
C -2.914539 1.649737 0.630709
C -1.970273 -2.642762 0.335310
C 3.413474 0.747013 -1.326466
C -2.270661 -2.783167 -1.151792
C -1.076813 3.793934 -0.162987
C 0.220048 3.344502 0.495848
H 2.660074 -1.825661 -1.120533
H 3.248703 -2.165747 0.523382
H 1.102674 0.002719 -0.041212
H 1.609618 -0.605122 1.530033
H -3.099221 -0.324280 -0.253810
H 4.813156 -0.676709 -0.543556
H -2.455548 2.111194 1.520974
H -3.970328 1.959546 0.545688
H -1.587571 -3.610496 0.697674
H -2.898428 -2.401934 0.890018
H -3.517234 -0.175619 2.707020
H -4.722947 -0.406982 1.528764
H 3.279813 1.025039 1.368742
H 4.956546 0.927615 1.156805
H -0.894778 4.469391 -1.014234
H -1.760004 4.291444 0.544050
H 0.060212 2.638952 1.323360
H 0.964351 2.957424 -0.214613
H 3.522421 0.965459 -3.285599
H -3.178127 -4.054832 -2.348905


