%chk=000149734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149734

0 1
 Br   3.420800       5.582300     -0.1183000    
 S   -6.098900      0.3811000      -1.296300    
 O    5.517900      -1.719900      -1.077700    
 O   -7.368500     -8.6599998E-02  -1.820500    
 O   -6.020500      0.9753000      2.3499999E-02
 N   3.4200002E-02 -0.3195000       1.105400    
 N   -2.322900     -0.8025000       2.627300    
 N    3.883500      0.3870000     -0.3951000    
 N   -4.939300     -0.8797000      -1.473600    
 C    1.339500     -7.9899997E-02  0.5967000    
 C    2.159100      -1.160200      0.2540000    
 C    1.793200       1.234100      0.4428000    
 C   -1.210900     -0.4612000      0.4788000    
 C   -2.376600     -0.6977000       1.219200    
 C    3.441600     -0.8765000     -0.2450000    
 C    3.090000       1.424000     -6.3699998E-02
 C   -3.606300     -0.8347000      0.5754000    
 C   -1.296100     -0.3643000     -0.9161000    
 C   -3.681000     -0.7367000     -0.8139000    
 C    1.728800      -2.490800      0.3981000    
 C    4.262200      -1.947800     -0.5878000    
 C   0.9908000       2.338500      0.7788000    
 C   -2.525900     -0.5015000      -1.559600    
 C    3.547500       2.729800     -0.2191000    
 C    2.568700      -3.543800      4.8099998E-02
 C    3.838000      -3.271300     -0.4459000    
 C    1.471800       3.633900      0.6140000    
 C    2.752900       3.829600      0.1140000    
 C   -2.106000      -2.088200       3.257100    
 C   -2.470200      0.3769000       3.454500    
 C   -5.461300       1.561000      -2.464900    
 C    5.643900      -1.590600      -2.490300    
 H   1.4800000E-02 -0.3920000       2.118200    
 H   -4.503200      -1.031400       1.159000    
 H  -0.4147000     -0.1812000      -1.525300    
 H   0.7444000      -2.739300      0.7861000    
 H  -1.3700000E-02   2.220900       1.176700    
 H   -2.572700     -0.4224000      -2.642700    
 H    4.551100       2.891400     -0.6110000    
 H    2.234700      -4.570500      0.1616000    
 H    4.496200      -4.091700     -0.7190000    
 H   0.8372000       4.474800      0.8800000    
 H   -4.871200      -1.280100      -2.418900    
 H   -1.070000      -2.413700       3.117600    
 H   -2.767400      -2.849000       2.828200    
 H   -2.306200      -2.053800       4.333200    
 H   -2.192100      0.1826000       4.495600    
 H   -3.509600      0.7216000       3.441700    
 H   -1.832400       1.191600       3.094400    
 H   -5.398000       1.090400      -3.447800    
 H   -6.155900       2.403300      -2.503700    
 H   -4.482800       1.908800      -2.130200    
 H    5.045300     -0.7514000      -2.858400    
 H    5.338900      -2.515900      -2.989300    
 H    6.694400      -1.398300      -2.724700    


%chk=000149734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149734

0 1
Br 4.479842 5.299142 0.879449
S -6.272719 0.051034 -1.334172
O 5.269123 -2.132723 -1.726443
O -7.708010 -0.436235 -1.927450
O -6.163604 0.844463 0.088294
N -0.035001 -0.096213 0.964752
N -2.191006 -0.096648 2.589100
N 3.982845 0.199509 -0.502384
N -5.052122 -1.650195 -1.107066
C 1.270418 -0.027501 0.441527
C 1.945221 -1.180168 -0.090528
C 1.968477 1.220587 0.529822
C -1.210630 -0.601604 0.393095
C -2.379268 -0.564143 1.238924
C 3.307194 -0.987489 -0.600505
C 3.347951 1.266927 0.068705
C -3.629317 -0.911778 0.706254
C -1.333853 -1.021866 -0.959637
C -3.761711 -1.305096 -0.660618
C 1.376336 -2.495101 -0.062839
C 3.991062 -2.138418 -1.178870
C 1.372649 2.429663 1.030599
C -2.594366 -1.344259 -1.485476
C 4.089729 2.495803 0.189152
C 2.092627 -3.578033 -0.573243
C 3.382296 -3.400633 -1.148507
C 2.103481 3.611376 1.130316
C 3.474844 3.621876 0.714908
C -1.559542 -1.084603 3.511615
C -3.350360 0.586223 3.210526
C -5.476101 1.230941 -2.647683
C 5.931916 -0.916638 -2.236892
H -0.256196 0.465602 1.804046
H -4.531584 -0.892708 1.322219
H -0.450019 -1.046639 -1.602590
H 0.387173 -2.652900 0.372648
H 0.315826 2.444832 1.318343
H -2.682918 -1.635391 -2.539911
H 5.128749 2.496169 -0.148825
H 1.660377 -4.583653 -0.538186
H 3.934792 -4.245858 -1.569094
H 1.639085 4.526859 1.506544
H -5.059704 -2.034056 -2.075622
H -0.671773 -1.537903 3.040488
H -2.265173 -1.899690 3.784813
H -1.241773 -0.571722 4.436639
H -2.999778 1.149518 4.093494
H -4.141567 -0.120322 3.546697
H -3.800790 1.291298 2.493604
H -5.581818 0.734033 -3.621783
H -6.059551 2.160257 -2.587161
H -4.429385 1.376945 -2.346695
H 6.300461 -0.293502 -1.409493
H 5.242560 -0.317214 -2.855876
H 6.761704 -1.307354 -2.847822


