%chk=000072778.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072778

0 1
 Br   7.028800     -0.4169000       1.450700    
 S   -1.921400     -0.8840000     -7.2999999E-02
 O   -1.639400      -1.655000       1.124500    
 O   -1.716300      -1.468300      -1.386500    
 O    5.281800      -1.107900      -1.424600    
 N   -1.180400      0.5656000     -1.0500000E-02
 N    4.286900      0.6572000     -0.2688000    
 C   0.1144000      0.5876000     -7.1400002E-02
 C   0.8731000       1.871000     -2.0700000E-02
 C   -3.637500     -0.4596000      3.8500000E-02
 C    2.210700       1.864900     -8.5400000E-02
 C   0.9030000     -0.6625000     -0.1942000    
 C    2.994000      0.6159000     -0.2085000    
 C    2.235100     -0.6514000     -0.2574000    
 C   8.5699998E-02   3.140800      0.1029000    
 C   -4.346900     -0.2169000      -1.123000    
 C   -4.230600     -0.3799000       1.284700    
 C   -5.698100      0.1177000      -1.035200    
 C   -5.582000     -4.5299999E-02   1.372400    
 C   -6.315600      0.2035000      0.2125000    
 C    4.954100     -0.5410000     -0.3827000    
 C    5.300600      -1.135700      0.9558000    
 H    2.775700       2.791400     -4.9699999E-02
 H   0.4547000      -1.644600     -0.2354000    
 H    2.752100      -1.599300     -0.3486000    
 H  -0.5071000       3.136200       1.023600    
 H  -0.5921000       3.256200     -0.7492000    
 H   0.7333000       4.023800      0.1316000    
 H   -3.882100     -0.2707000      -2.102500    
 H   -3.675600     -0.5602000       2.200000    
 H   -6.269100      0.3136000      -1.938200    
 H   -6.062600      2.3900000E-02   2.344000    
 H   -7.367400      0.4652000      0.2809000    
 H    4.582400     -0.8698000       1.734200    
 H    5.388200      -2.222000      0.8841000    


%chk=000072778-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072778

0 1
Br 7.839510 0.571417 0.260897
S -2.269323 -1.197332 0.063695
O -2.090200 -1.989572 1.477237
O -1.976111 -1.960836 -1.351519
O 5.166002 -1.175787 -1.424472
N -1.253611 0.459009 0.191711
N 4.278091 0.439446 0.041843
C 0.070586 0.341723 0.091184
C 0.818772 1.624180 0.267360
C -3.991925 -0.446464 -0.006973
C 2.192854 1.595979 0.227608
C 0.837299 -0.896605 -0.160963
C 2.954638 0.364649 0.011242
C 2.204133 -0.887933 -0.196521
C 0.036665 2.894417 0.493343
C -4.557294 -0.220954 -1.271656
C -4.642854 -0.184998 1.208837
C -5.865045 0.316173 -1.313040
C -5.949453 0.351898 1.144101
C -6.553047 0.604693 -0.110750
C 5.199204 -0.552614 -0.320883
C 6.337651 -0.725842 0.676366
H 2.777814 2.511200 0.364170
H 0.283441 -1.822783 -0.343432
H 2.767159 -1.803668 -0.400623
H -0.593664 2.812833 1.397046
H -0.657437 3.083667 -0.345053
H 0.710856 3.759330 0.602674
H -4.006562 -0.476506 -2.182572
H -4.156728 -0.411873 2.162915
H -6.342513 0.503495 -2.280181
H -6.492273 0.567803 2.069956
H -7.566283 1.018667 -0.151594
H 6.035632 -0.498961 1.709027
H 6.784418 -1.724354 0.573917


