%chk=000089948.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089948

0 1
 Br   2.964900       2.840800     -0.1209000    
 S  -2.6400000E-02  -2.798100      0.1437000    
 N   -4.068100       1.861800      0.3045000    
 C   -1.247700     -0.6013000     -0.3412000    
 C   0.1298000     -0.2363000     -0.1688000    
 C   -2.332800      0.3661000     -0.6419000    
 C   0.9197000      -1.357000      0.1053000    
 C   -2.988000      0.9353000      0.6263000    
 C   -1.465400      -1.950900     -0.1982000    
 C   0.7624000       1.028800     -0.2344000    
 C    2.308700      -1.246200      0.3131000    
 C    2.140000       1.142100     -2.9100001E-02
 C    2.903000      1.5200000E-02  0.2417000    
 H   -1.949800       1.185700      -1.262800    
 H   -3.100000     -0.1302000      -1.252400    
 H   -2.242800       1.457900       1.236800    
 H   -3.390800      0.1238000       1.243100    
 H   -2.403100      -2.483600     -0.2772000    
 H   0.1699000       1.916600     -0.4431000    
 H    2.913800      -2.123000      0.5255000    
 H    3.975600      9.5299996E-02  0.4028000    
 H   -4.765800       1.385800     -0.2664000    
 H   -3.705400       2.619300     -0.2734000    


%chk=000089948-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089948

0 1
Br 2.832574 2.947865 -0.054467
S 0.057916 -2.982560 0.108957
N -3.958597 2.000677 0.337372
C -1.271154 -0.707836 -0.434835
C 0.116034 -0.314243 -0.192146
C -2.384548 0.274889 -0.722980
C 0.972201 -1.418474 0.116160
C -2.891421 1.019510 0.564306
C -1.447583 -2.071216 -0.311873
C 0.676770 0.992678 -0.241427
C 2.346633 -1.250211 0.375784
C 2.046362 1.146280 0.016976
C 2.891794 0.050411 0.327183
H -2.047459 1.034602 -1.456729
H -3.246212 -0.247478 -1.180356
H -2.040706 1.532807 1.049761
H -3.250767 0.263365 1.286959
H -2.367417 -2.640836 -0.441336
H 0.051293 1.857170 -0.481867
H 2.991469 -2.102418 0.610824
H 3.954893 0.211291 0.524627
H -4.847929 1.612751 0.012378
H -3.682448 2.838877 -0.180271


