%chk=000063663.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063663

0 1
 Br  -2.511700       4.195700      0.2815000    
 Br  -7.631800       1.781700      0.1459000    
 Cl  -1.050100      -2.092300      -2.575900    
 S    1.200400       1.262800     -0.5532000    
 S    3.965900       2.130900      -1.143900    
 O   0.8722000       2.595300     -6.6500001E-02
 O   0.9777000      0.8999000      -1.945200    
 O   -3.865200      -2.113300      0.1225000    
 N   -1.730100      -1.125000      0.2403000    
 N   -1.565300       1.247400      0.3112000    
 N    3.470800      0.2348000      0.5329000    
 C   0.4904000      5.0900001E-02  0.4915000    
 C   -1.015000      7.2300002E-02  0.3218000    
 C   -3.776600      0.2096000      0.2301000    
 C   -3.140900      -1.124600      0.2121000    
 C   -2.959400       1.339800      0.2540000    
 C   -1.075500      -2.400300      0.1363000    
 C    2.966200       1.090600     -0.2748000    
 C   -5.170400      0.3362000      0.1977000    
 C   -3.554800       2.606600      0.2457000    
 C    5.313400       1.381000     -0.3727000    
 C    4.849200      0.3859000      0.4929000    
 C  -0.7237000      -2.929500      -1.100300    
 C  -0.8000000      -3.096300       1.308600    
 C   -5.750700       1.603800      0.1904000    
 C   -4.943800       2.738800      0.2132000    
 C    6.682700       1.653600     -0.5227000    
 C    5.790900     -0.3612000       1.233300    
 C  -8.9000002E-02  -4.169800      -1.166000    
 C  -0.1651000      -4.336500       1.243000    
 C   0.1904000      -4.873200      5.5999998E-03
 C    7.593400      0.8997000      0.2216000    
 C    7.155400     -9.5200002E-02   1.088900    
 H   0.9382000     -0.9096000      0.2397000    
 H   0.7281000      0.3061000       1.528500    
 H   -5.804100     -0.5470000      0.1758000    
 H   -1.071900      -2.686900       2.277900    
 H   -5.398700       3.727100      0.2071000    
 H    7.031800       2.428800      -1.197900    
 H    5.459600      -1.140700       1.913700    
 H   0.1950000      -4.602100      -2.122100    
 H   5.2800000E-02  -4.884100       2.155300    
 H   0.6849000      -5.838900     -4.5400001E-02
 H    8.657900       1.094700      0.1202000    
 H    7.878500     -0.6714000       1.659700    


%chk=000063663-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063663

0 1
Br -4.195604 3.930816 1.326035
Br -7.280128 0.544608 -2.196661
Cl 0.602398 -0.903835 -1.949839
S 1.085093 2.364776 0.789588
S 3.394851 1.784265 -1.386838
O 1.634139 3.461174 1.860958
O 0.306710 2.832778 -0.562098
O -2.528858 -2.081644 -0.888918
N -1.295194 -0.614305 0.471580
N -2.168381 1.536951 1.135132
N 3.073084 0.361431 0.884397
C 0.031624 0.981192 1.880312
C -1.203555 0.625079 1.147601
C -3.495471 0.084248 -0.358071
C -2.450862 -0.961934 -0.318002
C -3.318130 1.295996 0.389820
C -0.274224 -1.636581 0.603660
C 2.575154 1.339373 0.180497
C -4.660542 -0.151368 -1.125258
C -4.367467 2.267143 0.340112
C 4.559446 0.441686 -0.992462
C 4.209076 -0.188865 0.249020
C 0.648387 -1.894630 -0.434454
C -0.232439 -2.424927 1.776350
C -5.657767 0.832174 -1.146340
C -5.526294 2.044437 -0.420649
C 5.669030 0.012714 -1.746583
C 4.985964 -1.263545 0.741899
C 1.608511 -2.916815 -0.313243
C 0.730252 -3.446606 1.914073
C 1.648944 -3.691185 0.867555
C 6.433790 -1.061004 -1.239770
C 6.096536 -1.691101 -0.009347
H 0.783293 0.198030 2.039667
H -0.166420 1.608238 2.759575
H -4.747615 -1.091367 -1.676600
H -0.970103 -2.237737 2.564088
H -6.316158 2.798600 -0.453223
H 5.938977 0.490324 -2.692860
H 4.713967 -1.732107 1.692109
H 2.313031 -3.100359 -1.129383
H 0.754194 -4.053334 2.824532
H 2.393244 -4.488804 0.961011
H 7.303664 -1.410930 -1.805393
H 6.713852 -2.516950 0.358722


