%chk=000178947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178947

0 1
 Br   6.480200      0.7782000      0.1289000    
 S   -2.788200      -2.737400     -0.4540000    
 O   -3.714200       2.558600      0.1681000    
 N   -3.594600      0.2238000     -0.1096000    
 C    1.126700       1.840400      0.1630000    
 C   3.1000001E-03  0.8345000      2.3000000E-02
 C   0.5233000     -0.4708000     -0.1266000    
 C    2.349500      0.9511000      7.5700000E-02
 C    1.968400     -0.3990000     -9.4200000E-02
 C   -1.360000       1.073100      2.9999999E-02
 C  -0.3266000      -1.554500     -0.2714000    
 C   -2.216600     -1.9500000E-02 -0.1159000    
 C    3.680500       1.323500      0.1434000    
 C   -1.705200      -1.320200     -0.2654000    
 C    2.927100      -1.392900     -0.1983000    
 C    4.646800      0.3213000      3.8699999E-02
 C    4.273900      -1.023300     -0.1303000    
 C   -4.226800       1.453000      2.7799999E-02
 C   -2.320700      -3.738600      0.9831000    
 C   -5.726500       1.298700     -1.5900001E-02
 H    1.080100       2.340600       1.134600    
 H    1.109500       2.557900     -0.6625000    
 H   -1.654400       2.102700      0.1503000    
 H   8.0700003E-02  -2.553300     -0.3954000    
 H    3.953100       2.365600      0.2747000    
 H    2.654800      -2.434900     -0.3287000    
 H    5.032500      -1.798900     -0.2107000    
 H   -4.183000     -0.5994000     -0.2183000    
 H   -2.994600      -4.596500       1.054900    
 H   -2.406200      -3.151100       1.901300    
 H   -1.298200      -4.111600      0.8834000    
 H   -6.027900      0.8715000     -0.9765000    
 H   -6.202800       2.276000      0.1022000    
 H   -6.056700      0.6439000      0.7957000    


%chk=000178947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178947

0 1
Br 6.736170 0.859608 0.073655
S -2.721903 -2.787084 -0.637893
O -3.841649 2.359024 0.423141
N -3.544666 0.091983 -0.125229
C 1.256415 1.839786 0.262745
C 0.127512 0.834482 0.065247
C 0.670143 -0.461435 -0.187719
C 2.506430 0.983032 0.095307
C 2.139439 -0.372645 -0.171246
C -1.255319 1.057631 0.100200
C -0.195506 -1.555309 -0.400113
C -2.134707 -0.042737 -0.117684
C 3.857259 1.363639 0.170267
C -1.588846 -1.349017 -0.353811
C 3.134932 -1.355327 -0.365363
C 4.835642 0.362012 -0.026630
C 4.497664 -0.983949 -0.292303
C -4.321803 1.227693 0.116563
C -2.926381 -3.373937 1.157199
C -5.823900 0.979308 -0.019952
H 1.211124 2.318388 1.260296
H 1.212155 2.658614 -0.481406
H -1.686412 2.043182 0.287575
H 0.188617 -2.560439 -0.601583
H 4.150056 2.398073 0.373615
H 2.871418 -2.398110 -0.572605
H 5.285006 -1.728491 -0.439875
H -4.032601 -0.780528 -0.378799
H -3.622554 -4.226853 1.129851
H -3.339670 -2.562656 1.775432
H -1.948992 -3.692967 1.547472
H -6.083595 0.655459 -1.044850
H -6.355994 1.915215 0.202186
H -6.168483 0.196851 0.681408


