%chk=000047332.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047332

0 1
 Br  -2.500100      -4.486600     -0.6839000    
 Br  -6.222000      -1.889900      0.2268000    
 O   -3.091000      -1.823800     -0.1215000    
 O    2.012600     -0.3721000     -0.1700000    
 O   -1.522500      -2.104800       1.549800    
 O   0.3951000     -0.9032000      -1.711700    
 N  -0.1429000     -6.4099997E-02  0.3835000    
 C   -1.578700     -5.6800000E-02  0.2440000    
 C   -2.201600       1.032500       1.118200    
 C   -2.092100       2.418600      0.5321000    
 C   -2.036000      -1.442000      0.6573000    
 C   -3.099700       2.905400     -0.3009000    
 C  -0.9831000       3.213200      0.8229000    
 C   0.7224000     -0.4865000     -0.6054000    
 C   -2.998000       4.186700     -0.8428000    
 C  -0.8816000       4.494500      0.2809000    
 C   -1.889000       4.981200     -0.5519000    
 C    3.023500     -0.7776000      -1.099700    
 C   -3.657100      -3.123100      0.1223000    
 C    4.372300     -0.5900000     -0.4694000    
 C    5.047200      0.6223000     -0.6141000    
 C    4.951100      -1.627400      0.2616000    
 C   -5.013800      -3.210500     -0.5505000    
 C    6.300800      0.7969000     -2.8100001E-02
 C    6.204700      -1.452600      0.8478000    
 C    6.879500     -0.2404000      0.7028000    
 H   -1.818200      8.9699998E-02 -0.8166000    
 H   -3.266100      0.8105000       1.276100    
 H   -1.763000       1.025100       2.125700    
 H   0.2613000      0.2074000       1.275200    
 H   -3.967300       2.295000     -0.5370000    
 H  -0.1915000       2.846300       1.470900    
 H   -3.782000       4.565600      -1.492000    
 H  -1.8200001E-02   5.113100      0.5074000    
 H   -1.809800       5.978700     -0.9741000    
 H    2.875900      -1.830200      -1.371300    
 H    2.946900     -0.1775000      -2.014900    
 H   -3.718700      -3.333900       1.195700    
 H    4.605600       1.438700      -1.179300    
 H    4.434300      -2.575600      0.3833000    
 H   -4.967500      -2.962900      -1.615600    
 H   -5.489300      -4.186500     -0.4194000    
 H    6.826100       1.740900     -0.1403000    
 H    6.655200      -2.260100       1.417500    
 H    7.855500     -0.1043000       1.159500    


%chk=000047332-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047332

0 1
Br -4.771170 -4.167785 -1.391379
Br -6.392673 -0.707545 1.469547
O -3.748043 -1.754833 -0.199023
O 2.026056 -1.660488 -0.010377
O -2.285140 -2.974080 1.171680
O 0.717112 -0.588504 -1.663078
N -0.171209 -1.284385 0.398173
C -1.536040 -0.853607 0.123598
C -1.970495 0.412849 0.959066
C -1.168866 1.646091 0.581501
C -2.496319 -1.996224 0.433437
C -1.607843 2.491485 -0.469836
C 0.040497 1.962361 1.250166
C 0.837712 -1.122050 -0.529262
C -0.856315 3.626453 -0.844914
C 0.797308 3.095256 0.876008
C 0.350444 3.931259 -0.172647
C 3.237436 -1.513827 -0.887798
C -4.807193 -2.698405 0.054084
C 4.032241 -0.275213 -0.534265
C 3.617891 1.000552 -0.999597
C 5.201296 -0.374773 0.261364
C -6.147583 -2.005119 -0.074759
C 4.360724 2.154234 -0.667176
C 5.948620 0.779086 0.589350
C 5.528896 2.047175 0.124725
H -1.600834 -0.600445 -0.949254
H -3.048633 0.577513 0.778758
H -1.842095 0.173088 2.031744
H 0.028144 -1.814924 1.248481
H -2.543677 2.261044 -0.994944
H 0.393116 1.319591 2.065531
H -1.210130 4.271715 -1.656860
H 1.733777 3.320829 1.398146
H 0.933357 4.813392 -0.461161
H 3.806387 -2.435745 -0.689548
H 2.888341 -1.491460 -1.934846
H -4.643774 -3.251179 0.991962
H 2.710473 1.079649 -1.609080
H 5.526282 -1.357714 0.624797
H -6.214809 -1.404815 -0.992676
H -6.978388 -2.718271 0.006284
H 4.032557 3.134371 -1.031513
H 6.853217 0.690237 1.201342
H 6.108545 2.943061 0.375147


