%chk=000067013.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067013

0 1
 Br  0.6737000      -3.599800     -7.4600004E-02
 S   -4.191700      -1.241400     -3.9900001E-02
 S    4.940900     -0.2408000     -4.0199999E-02
 O   -1.572400      -1.900900     -4.6399999E-02
 O   0.5975000       2.977700     -1.1000000E-03
 O   -3.935800      -1.891400       1.434800    
 O    5.327400      0.3097000       1.448000    
 O   -5.604600     -0.9191000     -0.1304000    
 O   -3.549000      -2.084700      -1.030600    
 O    5.475600      -1.587700     -0.1514000    
 O    5.288800      0.7836000      -1.009500    
 N    3.010400       2.042800     -1.2500000E-02
 C   0.9861000      0.6378000     -2.6100000E-02
 C   -1.909100      0.4125000     -2.3900000E-02
 C   0.4115000     -0.6349000     -3.9200000E-02
 C   -1.334600       1.685200     -1.1000000E-02
 C   -1.057000     -0.7942000     -3.7900001E-02
 C   0.1341000       1.844300     -1.1800000E-02
 C    2.379400      0.7751000     -2.6200000E-02
 C   -3.302400      0.2753000     -2.3100000E-02
 C    3.191600     -0.3593000     -3.9400000E-02
 C    1.230400      -1.770500     -5.2800000E-02
 C    2.618500      -1.629300     -5.2700002E-02
 C   -2.153400       2.820800      2.7999999E-03
 C   -4.114600       1.409500     -9.1000004E-03
 C   -3.541400       2.679500      4.1000000E-03
 H    3.248500      -2.515000     -6.0400002E-02
 H   -1.733800       3.823100      1.3300000E-02
 H   -5.199000       1.363400     -3.3000000E-03
 H   -4.175300       3.561600      1.6100001E-02
 H    4.016100       2.129000      1.7600000E-02
 H    2.458100       2.888500     -2.9000000E-03
 H   -4.267400      -1.359100       2.195700    
 H    5.069600     -0.2779000       2.196800    


%chk=000067013-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000067013

0 1
Br 0.476072 -3.595431 0.118736
S -4.391119 -1.235111 -0.152775
S 4.993540 -0.374335 -0.138231
O -1.634559 -1.728169 1.039304
O 0.597682 3.091890 0.108784
O -4.293771 -1.931144 1.522210
O 5.241180 -0.307519 1.693924
O -5.934786 -0.815547 -0.347573
O -3.643971 -2.180718 -1.228183
O 5.538143 -1.782564 -0.703515
O 5.529274 1.024104 -0.774549
N 2.977436 2.066369 -0.063463
C 0.938002 0.695846 0.129515
C -1.995273 0.471308 0.139646
C 0.334403 -0.607750 0.229800
C -1.387067 1.757956 0.062468
C -1.140521 -0.700300 0.480249
C 0.096496 1.905981 0.123703
C 2.380606 0.847050 0.008721
C -3.405342 0.411490 0.009337
C 3.122545 -0.381257 -0.051072
C 1.140949 -1.770754 0.130209
C 2.544804 -1.643841 -0.012111
C -2.180422 2.922384 -0.086135
C -4.202850 1.551293 -0.155633
C -3.579642 2.823173 -0.181998
H 3.179042 -2.533165 -0.091691
H -1.669786 3.888688 -0.125821
H -5.286547 1.436587 -0.269437
H -4.191605 3.722923 -0.295546
H 3.985301 2.134627 -0.255773
H 2.352900 2.887003 0.000144
H -3.300275 -2.112059 1.629937
H 6.225864 -0.325604 1.879621


