%chk=000101025.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101025

0 1
 Br   5.891800      -1.470200     -0.2758000    
 Cl   2.839600     -0.9761000       2.652300    
 Cl  5.0400000E-02  -4.394300     -0.4309000    
 O    3.132400       1.431400      0.7709000    
 O    4.039900      0.8547000      -1.309400    
 O   0.5802000       2.649400      0.3894000    
 C    3.734200      0.3648000      9.7000003E-03
 C    2.911600       2.504100     -0.1485000    
 C    3.954800       2.275200      -1.213400    
 C    2.805200     -0.8375000     -6.8499997E-02
 C    1.486300       2.433600     -0.6820000    
 C    5.041600     -2.4300000E-02  0.7017000    
 C    2.358400      -1.496400       1.078600    
 C    2.397400      -1.282000      -1.327600    
 C    1.507100      -2.595600      0.9668000    
 C    1.546100      -2.381300      -1.439300    
 C  -0.6472000       2.045400      0.2942000    
 C    1.101000      -3.038200     -0.2922000    
 C   -1.206100       1.818300     -0.9576000    
 C   -1.317700       1.666100       1.450900    
 C   -3.134000      0.8191000      0.1015000    
 C   -2.454200       1.202900      -1.054400    
 C   -2.565600       1.050600       1.354200    
 C   -4.427900      0.1798000      1.5000000E-03
 C   -5.589200      0.9525000     -4.0000002E-03
 C   -4.514300      -1.209400     -8.9699998E-02
 C   -6.836900      0.3360000     -0.1005000    
 C   -5.761800      -1.825900     -0.1863000    
 C   -6.923100      -1.053100     -0.1917000    
 H    3.062000       3.453000      0.3768000    
 H    4.934200       2.649200     -0.8953000    
 H    3.709000       2.713300      -2.184500    
 H    1.325700       1.454000      -1.145700    
 H    1.335500       3.216000      -1.435000    
 H    5.756400      0.8045000      0.6330000    
 H    5.021100     -0.3002000       1.751400    
 H    2.716400     -0.8024000      -2.248000    
 H    1.158600      -3.108900       1.860600    
 H    1.237000      -2.714900      -2.426600    
 H  -0.7240000       2.127800      -1.879800    
 H  -0.8775000       1.843600       2.427900    
 H   -2.885900       1.035000      -2.038400    
 H   -3.081600      0.7570000       2.265300    
 H   -5.540000       2.036700      6.6299997E-02
 H   -3.618900      -1.826800     -8.6900003E-02
 H   -7.741100      0.9376000     -0.1047000    
 H   -5.829100      -2.907600     -0.2574000    
 H   -7.894400      -1.533200     -0.2669000    


%chk=000101025-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101025

0 1
Br 7.028461 -0.505805 -0.206387
Cl 3.509545 -1.177982 2.687630
Cl 2.166678 -5.414187 -0.563861
O 3.269828 1.263200 0.739564
O 4.212436 0.968948 -1.419675
O 0.351736 1.967134 0.461935
C 4.201009 0.402528 -0.062570
C 2.642437 2.242903 -0.188654
C 3.690894 2.349931 -1.313185
C 3.694581 -1.039505 -0.147031
C 1.264710 1.774301 -0.666859
C 5.561989 0.596977 0.632753
C 3.361500 -1.821118 0.986333
C 3.563016 -1.654352 -1.418547
C 2.891587 -3.145390 0.875306
C 3.102352 -2.978290 -1.566572
C -0.990472 1.585393 0.288821
C 2.769026 -3.704971 -0.409111
C -1.529184 1.053906 -0.908054
C -1.825067 1.770792 1.417871
C -3.758040 0.896701 0.153945
C -2.899223 0.717154 -0.961476
C -3.185693 1.430576 1.345169
C -5.204219 0.542367 0.085646
C -6.174938 1.282789 0.816989
C -5.657605 -0.544440 -0.713260
C -7.544704 0.949624 0.753223
C -7.027399 -0.876213 -0.781862
C -7.979998 -0.131449 -0.048088
H 2.528270 3.176287 0.387987
H 4.500934 3.052347 -1.039748
H 3.286380 2.609421 -2.303740
H 1.294446 0.710341 -0.973739
H 0.932573 2.395568 -1.526813
H 5.886329 1.643921 0.544392
H 5.512733 0.286263 1.684859
H 3.836756 -1.068506 -2.298964
H 2.633049 -3.718607 1.768450
H 3.013454 -3.432659 -2.556815
H -0.907863 0.907292 -1.796721
H -1.384599 2.166371 2.337974
H -3.310316 0.336262 -1.903153
H -3.809883 1.550677 2.237334
H -5.858405 2.144397 1.416102
H -4.928382 -1.154420 -1.258664
H -8.273549 1.540022 1.320075
H -7.350337 -1.723217 -1.397837
H -9.043434 -0.389982 -0.098971


