%chk=000097537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097537

0 1
 Br  -5.681900       2.275900     -0.6777000    
 S    1.152700       1.243200      0.7908000    
 O  -0.3550000      -2.454100      -1.927800    
 O    3.538400      -1.695900      0.7173000    
 O   -3.658700      -1.632900      -1.074400    
 O   -4.306400      -2.969600      0.6388000    
 O    4.728200       1.671600      0.6966000    
 O    6.953800       1.236400      0.7714000    
 N   0.9929000      -1.853900     -0.1339000    
 N    4.165600     -0.2478000     -0.9834000    
 N   -2.896200     -0.8251000       2.086400    
 C    1.847900     -0.9346000     -0.8486000    
 C   -1.394600      -2.634000       1.401700    
 C  -0.7832000      -3.429600      0.2465000    
 C    1.288000      0.4899000     -0.8635000    
 C   -2.355000      -1.537900      0.9266000    
 C  -4.6599999E-02  -2.542100     -0.7425000    
 C    3.260200      -1.024400     -0.2742000    
 C   0.4008000       2.809800      0.2972000    
 C   -3.541500      -2.127300      0.1857000    
 C   -1.078500       2.679300      6.0100000E-02
 C    5.559600     -0.1482000     -0.6190000    
 C   -1.973900       2.883900       1.110100    
 C   -1.555500       2.354500      -1.209800    
 C   -3.345900       2.763500      0.8902000    
 C   -2.927600       2.234100      -1.429700    
 C    5.835100      0.9767000      0.3452000    
 C   -3.822700       2.438500     -0.3798000    
 H    1.910400      -1.283900      -1.887900    
 H   -1.923100      -3.342000       2.054100    
 H  -0.6031000      -2.187400       2.016000    
 H  -7.4800000E-02  -4.168100      0.6397000    
 H   -1.555600      -3.985300     -0.2967000    
 H    1.903000       1.144200      -1.488800    
 H   0.2924000      0.4399000      -1.308800    
 H    1.183100      -2.004900      0.8521000    
 H   -1.839400     -0.8155000      0.2855000    
 H   0.9058000       3.216800     -0.5864000    
 H   0.5782000       3.536200       1.099000    
 H    3.856700      0.2641000      -1.803900    
 H   -2.133000     -0.4000000       2.611600    
 H   -3.484800     -5.5300001E-02   1.770000    
 H    6.122000      3.5100002E-02  -1.538800    
 H    5.881900      -1.087600     -0.1603000    
 H   -1.615400       3.135500       2.104700    
 H  -0.8757000       2.218200      -2.046100    
 H   -4.030000       2.924700       1.719300    
 H   -3.283100       1.985200      -2.426300    
 H   -4.419800      -2.026200      -1.552000    
 H    4.933400       2.396700       1.324600    


%chk=000097537-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097537

0 1
Br -5.196569 2.648394 -2.535576
S 0.823026 0.942546 1.242775
O -0.613307 -1.700719 -1.811247
O 3.456830 -1.682565 0.912035
O -4.781320 -1.302792 0.954677
O -4.088753 -3.418588 0.306255
O 5.812951 1.698165 -1.642727
O 7.627425 1.238869 -0.257785
N 1.060205 -1.919648 -0.224618
N 4.195347 -0.034160 -0.537534
N -2.582352 -1.196245 2.605737
C 1.853722 -0.811735 -0.751559
C -1.416217 -2.976783 1.335567
C -0.882172 -3.419859 -0.054556
C 1.157379 0.564867 -0.583717
C -2.438214 -1.817020 1.273025
C -0.147636 -2.292856 -0.783301
C 3.232845 -0.881243 -0.049778
C 0.008520 2.657725 1.022885
C -3.805664 -2.308932 0.798583
C -1.239113 2.648111 0.166718
C 5.522915 0.015719 0.077133
C -2.376371 1.887504 0.541964
C -1.298549 3.406648 -1.028855
C -3.545489 1.878770 -0.246840
C -2.463669 3.417458 -1.831784
C 6.447191 1.019876 -0.586624
C -3.574278 2.651340 -1.427236
H 1.988423 -0.949490 -1.845617
H -1.884909 -3.838293 1.842372
H -0.575874 -2.642338 1.973729
H -0.203065 -4.282938 0.084865
H -1.718370 -3.746135 -0.692969
H 1.790644 1.373678 -0.992550
H 0.197604 0.539753 -1.122913
H 1.475586 -2.410428 0.576978
H -2.104793 -1.092202 0.487758
H 0.772052 3.343199 0.618218
H -0.207073 2.954002 2.064354
H 4.014293 0.598132 -1.320177
H -1.719303 -0.755221 2.938144
H -3.415507 -0.611641 2.716961
H 6.011466 -0.977382 0.042932
H 5.449857 0.269677 1.152639
H -2.342763 1.276126 1.451927
H -0.432778 4.002861 -1.341464
H -4.403482 1.269680 0.051664
H -2.498752 4.006737 -2.752521
H -5.656048 -1.644211 0.623539
H 6.443209 2.343888 -2.060584


