%chk=000026552.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026552

0 1
 Br   7.935000      -3.512200      0.1010000    
 S    4.287100       1.763800      0.4863000    
 O    4.811300       2.736500     -0.4620000    
 O    4.243200       2.088300       1.906100    
 O   -3.356400     -0.2436000      -1.464200    
 O   -2.285900     -0.2804000      0.5898000    
 O   -8.499400      0.2144000       1.456600    
 O   -7.259800       1.886400      0.7590000    
 N   -1.182900      0.4076000      -1.362800    
 N   -7.477800      0.6566000      0.8777000    
 C    2.676700       1.364500     -5.8200002E-02
 C    5.293400      0.3083000      0.3798000    
 C    2.341900       1.501100      -1.405400    
 C    1.725100      0.9090000      0.8542000    
 C   0.1039000      0.7263000     -0.9278000    
 C    1.055500       1.181900      -1.840100    
 C   0.4387000      0.5899000      0.4194000    
 C    5.983000      5.3300001E-02 -0.7902000    
 C    5.365600     -0.5385000       1.469200    
 C    6.774800      -1.092000     -0.8738000    
 C    6.157400      -1.683800       1.385600    
 C    6.861900      -1.960600      0.2141000    
 C   -2.262400     -5.7999998E-02 -0.6153000    
 C   -4.503800     -0.7124000     -0.8157000    
 C   -5.395200      0.2042000     -0.3065000    
 C   -6.538900     -0.2637000      0.3406000    
 C   -4.694100      -2.071700     -0.7128000    
 C   -6.760200      -1.635600      0.4611000    
 C   -5.837700      -2.539600     -6.5700002E-02
 H    3.068000       1.846000      -2.136100    
 H    1.967500      0.7899000       1.906600    
 H   0.8088000       1.291300      -2.893200    
 H  -0.2436000      0.2422000       1.182700    
 H    5.921500      0.7140000      -1.649200    
 H    4.818000     -0.3468000       2.386500    
 H    7.316200      -1.293900      -1.794500    
 H    6.212900      -2.351500       2.241600    
 H   -1.358100      0.5309000      -2.357200    
 H   -5.190800       1.265200     -0.4194000    
 H   -3.976300      -2.774900      -1.123300    
 H   -7.639600      -2.036400      0.9587000    
 H   -6.009400      -3.608000      2.7799999E-02


%chk=000026552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026552

0 1
Br 8.059996 -3.509509 -1.670642
S 4.661734 1.577891 0.846571
O 5.107179 2.889093 -0.028894
O 4.820401 1.465893 2.472330
O -3.400040 0.164754 -0.478773
O -2.099955 -0.521451 1.400555
O -9.156914 -1.033079 -1.614850
O -7.645138 -0.010265 -2.982224
N -1.232827 0.714029 -0.425441
N -7.976777 -0.580832 -1.873006
C 2.837974 1.267645 0.456140
C 5.602978 0.102790 0.111980
C 2.312965 1.803489 -0.730688
C 2.057854 0.577971 1.396162
C 0.133420 0.881236 -0.079969
C 0.946699 1.601253 -0.998952
C 0.688953 0.374904 1.126852
C 6.106515 0.223352 -1.192109
C 5.820565 -1.017597 0.928381
C 6.841319 -0.859995 -1.726068
C 6.554882 -2.100375 0.392716
C 7.045641 -2.007852 -0.928631
C -2.210883 0.056156 0.297823
C -4.655419 -0.379909 -0.098503
C -5.641442 -0.237967 -1.095334
C -6.932402 -0.727614 -0.824077
C -4.946586 -0.995657 1.143961
C -7.268464 -1.348649 0.398363
C -6.257971 -1.473409 1.372085
H 2.949508 2.384606 -1.405612
H 2.504161 0.230704 2.333833
H 0.509172 2.009062 -1.917962
H 0.055285 -0.159586 1.836579
H 5.957290 1.146281 -1.762116
H 5.455571 -1.033500 1.960550
H 7.251748 -0.804766 -2.737807
H 6.745961 -2.991355 0.996656
H -1.548943 1.117272 -1.310698
H -5.416212 0.237531 -2.052421
H -4.170917 -1.102102 1.902753
H -8.285541 -1.712426 0.561045
H -6.486241 -1.950017 2.330441


