%chk=000063664.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063664

0 1
 Br   2.967500      -3.652900      6.4000003E-02
 Br   6.772400      0.5370000      0.2328000    
 S   -1.631800      -2.309600      0.4160000    
 O   -1.685900      -1.771400       1.769700    
 O  -0.7175000      -3.401000      0.1028000    
 O    1.830600       2.689200     -0.3195000    
 O   -1.054300       1.867400       1.886700    
 N   0.2420000      0.9548000     -0.4507000    
 N   0.9881000      -1.299500     -0.3005000    
 C   -3.274000      -2.865300      4.9999999E-03
 C   -1.343400     -0.9943000     -0.7025000    
 C   -4.315100      -1.766800      0.2458000    
 C   3.9299998E-02 -0.4274000     -0.4532000    
 C   -3.304000      -3.326100      -1.448600    
 C   -5.742600      -2.217500     -3.3399999E-02
 C    1.541600       1.495200     -0.3498000    
 C  -0.8504000       1.887000     -0.5041000    
 C    2.631300      0.5072000     -0.2049000    
 C    2.304400     -0.8481000     -0.1618000    
 C   -1.465600       2.315100      0.6667000    
 C    3.962200      0.9253000     -8.7399997E-02
 C    3.329300      -1.787400      5.0000002E-04
 C   -1.279900       2.351800      -1.741900    
 C    4.973500     -2.0700000E-02  7.3399998E-02
 C    4.657700      -1.376400      0.1186000    
 C   -2.524700       3.220300      0.5986000    
 C   -2.339200       3.256900      -1.809900    
 C   -2.961500       3.691000     -0.6396000    
 C   -1.749800       2.366000       3.027200    
 H   -3.472100      -3.719600      0.6631000    
 H   -1.359500      -1.381600      -1.723900    
 H   -2.123500     -0.2495000     -0.5783000    
 H   -4.119100     -0.8858000     -0.3731000    
 H   -4.258800      -1.431500       1.288400    
 H   -3.266000      -2.487000      -2.150400    
 H   -2.471000      -3.996800      -1.682900    
 H   -4.221900      -3.885300      -1.658800    
 H   -5.907400      -2.404000      -1.098700    
 H   -5.983400      -3.128800      0.5228000    
 H   -6.447300      -1.438000      0.2747000    
 H    4.213000       1.982800     -0.1182000    
 H  -0.8019000       2.018700      -2.659300    
 H    5.448400      -2.112900      0.2444000    
 H   -3.056800       3.602200       1.462800    
 H   -2.679500       3.623100      -2.773900    
 H   -3.786400       4.395600     -0.6939000    
 H   -1.291800       1.905800       3.909100    
 H   -2.802300       2.062700       3.023100    
 H   -1.626200       3.448900       3.135100    


%chk=000063664-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063664

0 1
Br 1.882246 -3.817685 -1.246461
Br 6.545518 -0.608440 -0.076034
S -2.594546 -1.013666 0.852295
O -3.880119 -0.069192 1.244284
O -1.466104 -1.359637 1.979591
O 2.046846 2.680598 0.036665
O -1.200534 1.695230 1.872903
N 0.183729 1.318338 -0.425703
N 0.420999 -1.052851 -0.836795
C -3.327323 -2.771626 0.232558
C -1.794856 -0.148481 -0.822582
C -4.410597 -2.503766 -0.817202
C -0.331565 0.035149 -0.692128
C -2.139806 -3.646275 -0.157589
C -5.313961 -3.746704 -1.017778
C 1.591535 1.534117 -0.218614
C -0.687201 2.478089 -0.302766
C 2.420488 0.314190 -0.356181
C 1.798164 -0.938583 -0.673615
C -1.402267 2.674247 0.912294
C 3.819904 0.424346 -0.175257
C 2.649597 -2.079030 -0.811265
C -0.783284 3.410425 -1.351136
C 4.608079 -0.723711 -0.317276
C 4.038295 -1.983698 -0.636720
C -2.241844 3.806674 1.046914
C -1.614062 4.545194 -1.213320
C -2.340082 4.732534 -0.015112
C -1.959748 1.769068 3.132491
H -3.776109 -3.088146 1.194019
H -2.028369 -0.903987 -1.583741
H -2.406506 0.758610 -0.899580
H -3.947796 -2.229659 -1.785600
H -5.034076 -1.650531 -0.486387
H -1.628485 -3.284916 -1.067032
H -1.395062 -3.687388 0.654944
H -2.497801 -4.675959 -0.347910
H -4.740567 -4.616304 -1.385224
H -5.807359 -4.034786 -0.071521
H -6.104414 -3.526378 -1.756806
H 4.240574 1.403633 0.068358
H -0.198336 3.249691 -2.262754
H 4.670644 -2.868374 -0.743246
H -2.812633 3.963746 1.966209
H -1.688403 5.272600 -2.027214
H -2.988917 5.608012 0.098163
H -1.650363 0.870128 3.682561
H -3.043648 1.718698 2.926370
H -1.693174 2.685258 3.692030


