%chk=000063512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063512

0 1
 Br   6.843400       3.404800      0.1221000    
 S   -3.461300     -0.6538000      0.5884000    
 O    1.573600       2.401000     -0.7507000    
 N    1.174500      0.1231000     -0.3896000    
 N    2.991600      -1.319300      0.1645000    
 N   -3.058200       1.865800      0.2124000    
 C  -0.2620000      0.2881000     -0.6231000    
 C   -1.002500      0.5804000      0.6844000    
 C    1.736300      -1.130100     -0.1023000    
 C    1.971600       1.276400     -0.4594000    
 C    3.403500       1.074600     -0.1523000    
 C   -2.480800      0.7305000      0.4757000    
 C    3.850700     -0.2131000      0.1535000    
 C   0.8599000      -2.316200     -0.1015000    
 C    4.291100       2.156700     -0.1630000    
 C   -4.837500      0.3290000      0.2521000    
 C   -4.422600       1.653000      7.9599999E-02
 C    5.204900     -0.4056000      0.4506000    
 C   0.2250000      -2.704700       1.073300    
 C   0.6745000      -3.035700      -1.277300    
 C    5.637200       1.949600      0.1349000    
 C    6.094100      0.6700000      0.4418000    
 C   -6.187100     -4.4599999E-02  0.1487000    
 C   -5.394800       2.635800     -0.2067000    
 C  -0.6051000      -3.825800       1.072300    
 C  -0.1556000      -4.156700      -1.278100    
 C  -0.7954000      -4.551700     -0.1033000    
 C   -7.129000      0.9475000     -0.1355000    
 C   -6.740100       2.270900     -0.3113000    
 H  -0.4185000       1.118800      -1.322800    
 H  -0.6771000     -0.5969000      -1.113700    
 H  -0.6200000       1.517200       1.111300    
 H  -0.7997000     -0.1818000       1.442100    
 H    3.938200       3.157200     -0.4006000    
 H    5.576300      -1.399200      0.6901000    
 H   0.3763000      -2.155000       1.998200    
 H    1.167900      -2.735000      -2.197600    
 H    7.140500      0.4912000      0.6760000    
 H   -6.497900      -1.075900      0.2847000    
 H   -5.102200       3.672700     -0.3459000    
 H   -1.101400      -4.134600       1.987600    
 H  -0.3041000      -4.721700      -2.193600    
 H   -1.441600      -5.424500     -0.1039000    
 H   -8.178900      0.6795000     -0.2199000    
 H   -7.486700       3.028900     -0.5317000    


%chk=000063512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063512

0 1
Br 6.862576 3.486828 0.025112
S -3.495738 -0.696367 0.185005
O 1.492140 2.311208 -1.082668
N 1.183245 0.043261 -0.541139
N 2.968885 -1.303918 0.369337
N -3.128693 1.976654 0.319286
C -0.274795 0.252165 -0.765808
C -0.969169 0.717061 0.548250
C 1.719170 -1.176651 -0.064981
C 1.994296 1.226653 -0.663675
C 3.393515 1.060272 -0.235343
C -2.454090 0.851952 0.375690
C 3.819879 -0.191947 0.307487
C 0.868255 -2.407522 -0.050508
C 4.289263 2.157433 -0.321386
C -4.924159 0.404332 0.025780
C -4.512381 1.775487 0.126754
C 5.158820 -0.322918 0.772626
C 0.765968 -3.151776 1.152093
C 0.237018 -2.895250 -1.225535
C 5.600753 1.991056 0.138864
C 6.047748 0.759449 0.690895
C -6.275949 0.056613 -0.164391
C -5.475651 2.807081 0.032919
C 0.014675 -4.346053 1.189262
C -0.501760 -4.097170 -1.189192
C -0.625122 -4.819849 0.020486
C -7.224452 1.100284 -0.255228
C -6.827637 2.461842 -0.157974
H -0.378244 1.038177 -1.530434
H -0.732764 -0.675893 -1.129935
H -0.571515 1.702930 0.843108
H -0.746828 -0.010461 1.351634
H 3.926744 3.101933 -0.736938
H 5.474325 -1.286374 1.182865
H 1.289398 -2.793130 2.044183
H 0.356784 -2.360976 -2.175467
H 7.077841 0.659090 1.044327
H -6.590899 -0.988450 -0.240041
H -5.150453 3.848611 0.109721
H -0.065656 -4.908728 2.125521
H -0.974393 -4.470854 -2.103753
H -1.205441 -5.748523 0.049058
H -8.281102 0.852526 -0.402845
H -7.583406 3.250708 -0.232526


