%chk=000063315.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063315

0 1
 Br  -3.012000       4.166600      0.9269000    
 Br  -7.686900       1.328500     -0.5401000    
 Cl  -1.225100      -2.463800       2.555500    
 S    1.191900      0.8789000      -1.204400    
 S    4.078900       1.305300      -2.028000    
 O   -3.480700      -2.086700     -0.6021000    
 N   -1.517300     -0.9054000     -5.4900002E-02
 N   -1.673800       1.417700      0.4346000    
 N    3.342800      0.7628000      0.3838000    
 C  -0.9725000      0.3370000      0.2787000    
 C   -3.698100      0.1899000     -0.1717000    
 C   -2.896600      -1.043200     -0.3190000    
 C   -3.055000       1.362900      0.2232000    
 C  -0.7208000      -2.100800     -0.1026000    
 C   0.5273000      0.4976000      0.4220000    
 C   -5.079600      0.1739000     -0.3984000    
 C   -3.812700       2.528200      0.3891000    
 C  -0.5262000      -2.881200       1.031600    
 C  -0.1463000      -2.461000      -1.317000    
 C   -5.822400       1.341600     -0.2299000    
 C   -5.190000       2.518100      0.1648000    
 C    2.919600      0.9636000     -0.8320000    
 C   0.2524000      -4.035600      0.9510000    
 C   0.6322000      -3.615500      -1.397700    
 C    5.312700       1.182300     -0.8298000    
 C    4.724500      0.8854000      0.4034000    
 C   0.8314000      -4.402800     -0.2636000    
 C    6.701200       1.337300     -0.9709000    
 C    5.557600      0.7390000       1.533700    
 C    7.502900       1.187300      0.1634000    
 C    6.940600      0.8920000       1.400400    
 H   0.9879000     -0.4042000      0.8304000    
 H   0.7324000       1.326200       1.108700    
 H   -5.578000     -0.7430000     -0.7035000    
 H  -0.3022000      -1.861900      -2.210100    
 H   -5.771700       3.428100      0.2959000    
 H   0.4176000      -4.660200       1.825200    
 H    1.081500      -3.902500      -2.343900    
 H    1.437300      -5.301900     -0.3267000    
 H    7.147100       1.567800      -1.933500    
 H    5.128800      0.5083000       2.504800    
 H    8.580000       1.303300      7.5999998E-02
 H    7.579900      0.7789000       2.271700    


%chk=000063315-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063315

0 1
Br -4.445468 4.103776 0.821918
Br -7.883506 -0.287167 -0.702910
Cl -0.449945 -1.460023 2.716576
S 1.093992 2.148082 -0.965087
S 3.895796 1.256757 -2.037736
O -2.599117 -2.088621 -0.622949
N -1.265382 -0.255303 0.006276
N -2.214642 1.910690 0.465455
N 3.033845 0.756653 0.469781
C -1.167144 1.103883 0.372140
C -3.692542 0.036682 -0.185299
C -2.531855 -0.873288 -0.297577
C -3.487568 1.401879 0.200172
C -0.101446 -1.122119 -0.041374
C 0.183338 1.696669 0.665371
C -4.984491 -0.475786 -0.455543
C -4.642046 2.238334 0.303960
C 0.372326 -1.767129 1.122827
C 0.534217 -1.376679 -1.275734
C -6.083023 0.383860 -0.339524
C -5.928702 1.742732 0.038807
C 2.665053 1.322865 -0.653948
C 1.471199 -2.643836 1.076837
C 1.637628 -2.252414 -1.338164
C 4.979690 0.362830 -0.880134
C 4.327119 0.199673 0.385887
C 2.104984 -2.883758 -0.162818
C 6.276656 -0.130794 -1.112179
C 4.994238 -0.474460 1.434628
C 6.928442 -0.803860 -0.052500
C 6.292697 -0.972795 1.206627
H 0.879886 1.032919 1.201695
H 0.037886 2.638754 1.208723
H -5.083414 -1.525732 -0.743650
H 0.151613 -0.885535 -2.175253
H -6.799501 2.397207 0.123851
H 1.821024 -3.129687 1.991937
H 2.127335 -2.442363 -2.298023
H 2.963168 -3.562214 -0.203873
H 6.774641 -0.001394 -2.077788
H 4.493236 -0.590803 2.400217
H 7.939009 -1.195945 -0.208459
H 6.821376 -1.493737 2.011841


