%chk=000178456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178456

0 1
 Br   1.553000      -2.989800      0.1641000    
 S    5.032800       1.333700     -0.1430000    
 O  -0.3147000     -0.4383000       1.774400    
 N    2.362500      0.9421000      0.2126000    
 N    3.536400     -0.9277000     -2.7100001E-02
 N   -2.812200      0.8876000     -0.2167000    
 N   -4.439800      -1.379700      6.0199998E-02
 C  -0.8624000     -0.5060000     -0.5953000    
 C   1.6000001E-02  0.1359000      0.5077000    
 C    1.500600     -8.6199999E-02  0.2906000    
 C   -2.350200     -0.3592000     -0.3172000    
 C  -0.5130000      6.8700001E-02  -1.977400    
 C    2.207500      -1.223900      0.1454000    
 C    3.595500      0.3847000      1.7899999E-02
 C    2.044200       2.349800      0.3149000    
 C   -3.118300      -1.475900     -0.1870000    
 C   -4.133600      0.9837000      3.0300001E-02
 C   -4.933000     -0.1298000      0.1665000    
 C   -4.712500       2.349700      0.1544000    
 C    6.341300      8.0799997E-02 -0.3754000    
 H  -0.6676000      -1.580100     -0.6450000    
 H  -0.2239000       1.200300      0.5880000    
 H   0.5161000     -0.1655000      -2.266300    
 H  -0.6323000       1.157900      -1.999400    
 H   -1.170000     -0.3496000      -2.748700    
 H  -0.2445000      -1.405300       1.696600    
 H    1.342900       2.601600     -0.4855000    
 H    1.591900       2.528500       1.294400    
 H    2.929700       2.976900      0.2166000    
 H   -2.731500      -2.483700     -0.2697000    
 H   -5.996000     -6.0699999E-02  0.3653000    
 H   -5.155400       2.487200       1.145900    
 H   -3.942600       3.116400      1.9200001E-02
 H   -5.483400       2.507500     -0.6064000    
 H    6.388900     -0.5804000      0.4939000    
 H    7.303900      0.5859000     -0.4884000    
 H    6.143500     -0.5087000      -1.274500    


%chk=000178456-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178456

0 1
Br 1.856762 -3.155757 0.195158
S 5.013438 1.567779 -0.255541
O -0.411728 -0.736461 1.773386
N 2.298284 0.935946 0.153306
N 3.640136 -0.882922 -0.079050
N -2.754893 0.845090 -0.224788
N -4.622543 -1.285269 0.008788
C -0.894046 -0.701901 -0.683818
C -0.033551 -0.115595 0.483019
C 1.448838 -0.197586 0.241327
C -2.363691 -0.457877 -0.375738
C -0.514152 -0.061549 -2.042897
C 2.326539 -1.277504 0.100713
C 3.594014 0.466161 -0.047855
C 1.883421 2.340877 0.270845
C -3.303395 -1.512202 -0.255744
C -4.072937 1.094153 0.048632
C -4.996005 0.018624 0.158776
C -4.488333 2.534379 0.228622
C 6.366343 0.256822 -0.229310
H -0.717932 -1.793423 -0.737019
H -0.345567 0.935623 0.605254
H 0.550864 -0.234695 -2.276015
H -0.711321 1.025529 -2.021894
H -1.117636 -0.497374 -2.858726
H -0.069611 -1.669026 1.783624
H 1.304746 2.662137 -0.612424
H 1.272900 2.485117 1.177611
H 2.781967 2.972836 0.355430
H -2.998610 -2.558260 -0.368785
H -6.053788 0.202951 0.374428
H -3.962726 2.980023 1.092580
H -4.212579 3.129619 -0.659943
H -5.574637 2.625620 0.394111
H 6.350024 -0.265572 0.736890
H 7.308583 0.807736 -0.370461
H 6.192621 -0.455651 -1.046592


