%chk=000116642.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116642

0 1
 Br   1.765500      -1.170800       1.202300    
 S    4.097100       4.530200     -0.4268000    
 O  -0.2850000      -3.514900     -0.4589000    
 O   -3.251800      -2.648900      0.7612000    
 O    6.437200       1.580400      -1.001300    
 O    6.606500       2.118400       1.120200    
 N   -5.793300       1.242800     -3.2900002E-02
 N   -1.565600      -1.092100      0.2282000    
 N  -0.2066000       1.292300     -0.4834000    
 N   0.3110000       1.590600      0.6190000    
 N    2.552600       5.126700     -0.4548000    
 N    5.920500       1.837000      0.1106000    
 C   -4.387700       1.249300     -0.1450000    
 C   -6.496200      2.4300000E-02  0.3172000    
 C   -6.555100       2.451000     -0.2797000    
 C   -3.663300      8.1699997E-02  9.5100001E-02
 C   -2.272800      8.8399999E-02 -1.5699999E-02
 C   -3.721500       2.423600     -0.4956000    
 C   -1.606800       1.262700     -0.3663000    
 C   -6.621400     -9.1700003E-02   1.824300    
 C   -6.918800       2.548000      -1.748900    
 C   -2.331100       2.430400     -0.6063000    
 C    2.286100       2.854600      0.1423000    
 C    1.703000       1.619700      0.5020000    
 C    3.675000       2.921500      1.4600000E-02
 C   -2.075500      -2.345600      0.5860000    
 C    4.501500       1.808300      0.2311000    
 C    2.517400      0.5036000      0.7197000    
 C    3.898300      0.5992000      0.5857000    
 C  -0.9823000      -3.377000      0.7618000    
 C    1.720600       4.140300     -0.1380000    
 C   0.7450000      -4.424400     -0.4932000    
 C    1.061700      -5.162900      0.6470000    
 C    1.473900      -4.608700      -1.668100    
 C    2.106900      -6.085900      0.6122000    
 C    2.519200      -5.531700      -1.702800    
 C    2.835700      -6.270400     -0.5627000    
 H   -6.086100     -0.8809000     -0.1417000    
 H   -7.515700      7.3799998E-02 -8.9199997E-02
 H   -6.075900       3.363400      8.9100003E-02
 H   -7.493700       2.403600      0.2889000    
 H   -4.187700     -0.8066000      0.3909000    
 H   -4.223200       3.359500     -0.7131000    
 H   -5.643200     -0.1704000       2.308900    
 H   -7.133200      0.7782000       2.249500    
 H   -7.199200     -0.9834000       2.087400    
 H   -6.029700       2.624800      -2.382600    
 H   -7.486200       1.670900      -2.078100    
 H   -7.536400       3.434000      -1.927400    
 H   -1.821500       3.349200     -0.8851000    
 H  -0.5554000      -1.019900      0.1269000    
 H    4.520600     -0.2781000      0.7582000    
 H   -1.480200      -4.319700       1.023700    
 H  -0.3465000      -3.054800       1.590900    
 H   0.6663000       4.383100     -0.1140000    
 H   0.5366000      -5.069900       1.591400    
 H    1.232000      -4.035600      -2.558900    
 H    2.354200      -6.661500       1.499500    
 H    3.086900      -5.675100      -2.617600    
 H    3.649700      -6.988900     -0.5898000    


%chk=000116642-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116642

0 1
Br 1.602222 4.122090 2.633854
S 4.632777 0.185170 -1.631389
O -0.029873 -3.196830 -0.438937
O -3.590692 -2.801225 0.032399
O 6.705173 1.626010 -0.571873
O 6.696244 3.283688 1.011534
N -5.920978 1.396319 0.231650
N -1.796156 -1.269093 0.093089
N -0.294252 0.985555 0.387679
N 0.399162 2.074138 0.697953
N 2.952204 -0.452116 -2.011047
N 6.092809 2.411859 0.270803
C -4.539969 1.317884 0.281191
C -6.763690 0.205292 -0.045037
C -6.648531 2.669853 0.452364
C -3.880555 0.052145 0.159405
C -2.479888 -0.039469 0.194525
C -3.730801 2.504758 0.454803
C -1.675693 1.152548 0.364889
C -7.099389 -0.611991 1.222727
C -6.824230 3.501130 -0.838560
C -2.347352 2.409556 0.499317
C 2.540852 1.205581 -0.330429
C 1.787384 2.036953 0.575485
C 3.959298 1.334147 -0.428917
C -2.349451 -2.536887 0.016574
C 4.645259 2.280368 0.364976
C 2.535973 2.983644 1.352032
C 3.927933 3.107191 1.260237
C -1.345790 -3.690159 -0.037301
C 2.058729 0.193709 -1.255905
C 0.994563 -4.169663 -0.600247
C 0.852874 -5.521585 -0.204365
C 2.192753 -3.705973 -1.190222
C 1.939063 -6.409010 -0.391283
C 3.263848 -4.605361 -1.366070
C 3.146797 -5.959188 -0.966508
H -6.262798 -0.433267 -0.793186
H -7.697048 0.566584 -0.514394
H -6.132288 3.260961 1.228732
H -7.640003 2.413491 0.868185
H -4.440201 -0.876583 0.063236
H -4.196518 3.489587 0.536977
H -6.186315 -1.014788 1.692302
H -7.627208 0.009840 1.968161
H -7.752449 -1.463549 0.960143
H -5.848018 3.790546 -1.264426
H -7.372747 2.927304 -1.606721
H -7.397059 4.421680 -0.624838
H -1.724798 3.299267 0.632971
H -0.766602 -1.208086 0.085515
H 4.482837 3.825741 1.868249
H -1.729407 -4.439713 -0.755240
H -1.305794 -4.156248 0.969819
H 1.006948 -0.076199 -1.366159
H -0.072772 -5.895940 0.242952
H 2.279739 -2.665547 -1.518485
H 1.832456 -7.455243 -0.083515
H 4.190644 -4.243561 -1.824319
H 3.983176 -6.651617 -1.107451


