%chk=000008310.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008310

0 1
 Br   4.212500       2.040400      0.5321000    
 S   -1.277000      -2.229600     -6.3000001E-02
 O   -2.279400      -2.986800     -0.8034000    
 O  -0.8430000      -2.723800       1.238000    
 N   9.3599997E-02  -2.015000      -1.084800    
 N    1.185100      3.7999999E-02  -1.485600    
 N    1.785900      -1.327100      0.4072000    
 N   -3.316100       3.317700      0.5912000    
 C   -1.875500     -0.6007000      0.1291000    
 C    1.080600      -1.043100     -0.6981000    
 C   -2.817000     -9.3500003E-02 -0.7667000    
 C   -1.412300      0.1936000       1.178100    
 C    2.120400      0.9280000      -1.093500    
 C    2.702700     -0.3954000      0.7411000    
 C   -3.295100       1.207900     -0.6135000    
 C   -1.890600       1.495000       1.331200    
 C   -2.832000       2.002000      0.4354000    
 C    2.916400      0.7626000      2.1400001E-02
 C    2.246100       2.134200      -1.966200    
 C    3.494800     -0.7043000       1.969900    
 H  -0.1150000      -1.993900      -2.091500    
 H   -3.186300     -0.6910000      -1.595300    
 H  -0.6787000     -0.1795000       1.887200    
 H   -4.027300       1.592300      -1.318900    
 H   -1.521300       2.104300       2.152200    
 H    3.248600       2.199300      -2.400600    
 H    1.534500       2.087300      -2.798300    
 H    2.026000       3.047200      -1.403900    
 H    3.184200      -1.662600       2.401300    
 H    4.561300     -0.7844000       1.737200    
 H    3.339400      6.1000001E-02   2.736800    
 H   -3.997400       3.686600     -5.8899999E-02
 H   -2.979200       3.894400       1.350500    


%chk=000008310-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008310

0 1
Br 5.208404 1.498911 0.148988
S -1.263617 -1.753732 -0.700405
O -2.219467 -2.363643 -1.867556
O -0.521690 -2.714949 0.371418
N -0.006665 -0.871003 -1.764486
N 2.182744 -0.218445 -2.234479
N 1.268875 -0.007076 0.025861
N -4.357418 2.518176 2.243873
C -2.177330 -0.407733 0.193535
C 1.193698 -0.357047 -1.294850
C -3.299253 0.157737 -0.439526
C -1.756098 -0.041483 1.484136
C 3.359768 0.344392 -1.824707
C 2.450003 0.528963 0.459371
C -4.027636 1.140500 0.250544
C -2.491857 0.938153 2.169705
C -3.634147 1.547784 1.563132
C 3.515175 0.721441 -0.462209
C 4.436191 0.514356 -2.865231
C 2.542979 0.891028 1.919506
H -0.031075 -1.225717 -2.729081
H -3.602127 -0.181863 -1.434987
H -0.876640 -0.516944 1.926939
H -4.908002 1.593483 -0.219190
H -2.187681 1.238496 3.178843
H 5.351985 -0.037025 -2.583958
H 4.066447 0.139386 -3.830887
H 4.724159 1.576583 -2.969326
H 1.582738 0.669979 2.408580
H 3.345597 0.317563 2.418508
H 2.786111 1.961066 2.051296
H -5.174447 2.952176 1.823655
H -4.090823 2.807586 3.180690


