%chk=000082120.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082120

0 1
 Br  0.6796000       3.386200      0.7172000    
 S   -2.636400     -0.8200000      -2.347900    
 P   -2.562000     -0.2194000     -0.4947000    
 O   -1.385100      0.8459000     -0.1204000    
 O   -2.352100      -1.358500      0.6477000    
 O   -3.885300      0.5458000      6.5099999E-02
 N    1.779800     -0.4043000     -0.2184000    
 N   0.4309000     -0.5354000     -0.3548000    
 N    3.414800       1.269900      0.3541000    
 C    2.120700      0.8966000      0.1567000    
 C    2.763500      -1.385400     -0.4083000    
 C  -5.6800000E-02  0.6699000     -6.7400001E-02
 C   0.9404000       1.597300      0.2566000    
 C    4.052500      -1.059900     -0.2241000    
 C    4.320500      0.3537000      0.1764000    
 C    2.336600      -2.764100     -0.8112000    
 C    5.762600      0.7424000      0.3878000    
 C   -3.200800      -2.493300      0.6744000    
 C   -4.234900       1.819100     -0.4509000    
 C   -2.793100      -3.387100       1.826200    
 C   -5.495300       2.300400      0.2357000    
 H    4.871600      -1.755300     -0.3497000    
 H    1.674000      -3.198200     -5.5000000E-02
 H    3.191900      -3.438500     -0.9274000    
 H    1.804100      -2.737900      -1.767900    
 H    6.023500       1.548400     -0.3043000    
 H    6.437100     -0.1006000      0.2181000    
 H    5.893100       1.098000       1.414200    
 H   -4.238100      -2.166200      0.7957000    
 H   -3.110100      -3.046300     -0.2647000    
 H   -3.417500       2.523400     -0.2689000    
 H   -4.402800       1.744500      -1.529200    
 H   -3.429300      -4.275100       1.876400    
 H   -1.750600      -3.704300       1.717500    
 H   -2.863800      -2.847400       2.776300    
 H   -5.793800       3.283300     -0.1393000    
 H   -6.316700       1.595100      7.1999997E-02
 H   -5.343300       2.366200       1.318200    


%chk=000082120-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082120

0 1
Br 0.687877 3.525949 0.355894
S -2.540192 -0.460512 -2.320228
P -2.759701 -0.112630 -0.302796
O -1.493453 0.929818 0.437773
O -2.945790 -1.437873 0.764190
O -4.083121 0.794127 0.282108
N 1.679678 -0.468112 0.055668
N 0.304022 -0.635512 0.170491
N 3.390851 1.279203 0.023207
C 2.083031 0.907909 0.109569
C 2.601002 -1.488796 -0.101689
C -0.157256 0.658335 0.275959
C 0.875691 1.629518 0.246468
C 3.937277 -1.095291 -0.191921
C 4.310721 0.296319 -0.125507
C 2.085038 -2.896389 -0.162325
C 5.761576 0.704670 -0.225075
C -2.345392 -2.759924 0.387397
C -4.286406 2.178859 -0.260280
C -2.831604 -3.741396 1.448241
C -5.610852 2.657688 0.322587
H 4.706656 -1.860951 -0.316323
H 1.547579 -3.156325 0.768247
H 2.914655 -3.604605 -0.309431
H 1.359128 -3.008560 -0.988399
H 6.197428 0.391896 -1.192615
H 6.365046 0.233303 0.573187
H 5.844895 1.798125 -0.135981
H -2.694535 -3.030300 -0.627008
H -1.247051 -2.642992 0.381828
H -3.435558 2.804440 0.064278
H -4.310737 2.128375 -1.365988
H -2.429161 -4.748726 1.232015
H -2.490719 -3.435152 2.451463
H -3.933018 -3.798814 1.454772
H -5.818412 3.686033 -0.026641
H -6.439320 2.003180 0.004008
H -5.570475 2.664012 1.424657


