%chk=000125829.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125829

0 1
 Br   9.343500     -0.5106000      0.1191000    
 O    6.502100      -1.292200      0.1296000    
 C   -2.353300      0.4882000     -0.1933000    
 C   -1.059700     -0.3226000     -0.3038000    
 C   -3.616000     -0.3780000     -0.2433000    
 C   0.2052000      0.5351000     -0.1945000    
 C   -4.907400      0.4220000     -5.7399999E-02
 C    1.532600     -0.2294000     -0.2100000    
 C   -6.131300     -0.4969000     -4.3600000E-02
 C    2.757300      0.6707000     -3.4499999E-02
 C   -7.419900      0.2963000      0.1802000    
 C    4.051100     -0.1453000     -4.9199998E-02
 C   -8.645300     -0.6171000      0.1605000    
 C    5.274300      0.7535000      8.9699998E-02
 C   -9.931300      0.1719000      0.3491000    
 C    6.552900     -6.2199999E-02  0.1165000    
 C    7.845200      0.7166000      0.1849000    
 H   -2.389000       1.227100      -1.003100    
 H   -2.343300       1.050500      0.7486000    
 H   -1.047600     -0.8620000      -1.258600    
 H   -1.043100      -1.080900      0.4885000    
 H   -3.650900     -0.9091000      -1.202500    
 H   -3.552000      -1.143400      0.5403000    
 H   0.2080000       1.264900      -1.014100    
 H   0.1519000       1.116100      0.7352000    
 H   -5.002900       1.157400     -0.8652000    
 H   -4.858000      0.9804000      0.8851000    
 H    1.614700     -0.7785000      -1.156100    
 H    1.518900     -0.9794000      0.5906000    
 H   -6.021600      -1.246500      0.7497000    
 H   -6.191800      -1.039200     -0.9951000    
 H    2.677700       1.219300      0.9117000    
 H    2.780400       1.415100     -0.8395000    
 H   -7.367400      0.8220000       1.141300    
 H   -7.519800       1.060100     -0.6007000    
 H    4.116200     -0.7176000     -0.9832000    
 H    4.026700     -0.8757000      0.7694000    
 H   -8.692900      -1.156800     -0.7924000    
 H   -8.562700      -1.367900      0.9549000    
 H    5.220500       1.329900       1.019600    
 H    5.328900       1.448800     -0.7548000    
 H   -9.930000      0.7005000       1.307700    
 H   -10.06020      0.9090000     -0.4499000    
 H   -10.79440     -0.5007000      0.3331000    
 H    7.934200       1.384000     -0.6742000    
 H    7.909400       1.266600       1.125600    


%chk=000125829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125829

0 1
Br 9.666089 -0.038585 -0.413797
O 6.733680 -1.143807 -0.908309
C -2.351903 0.469203 0.008775
C -1.034218 -0.337090 -0.033405
C -3.615254 -0.420674 -0.005063
C 0.228661 0.553353 -0.018085
C -4.933102 0.385645 0.033047
C 1.545730 -0.253170 -0.070350
C -6.196504 -0.504393 0.019703
C 2.808156 0.637994 -0.048516
C -7.514808 0.301243 0.058357
C 4.118095 -0.176339 -0.127404
C -8.777878 -0.590065 0.042548
C 5.372939 0.719684 -0.080646
C -10.090260 0.222534 0.084198
C 6.684358 -0.041642 -0.318108
C 7.916345 0.682851 0.239992
H -2.383902 1.163723 -0.856885
H -2.362901 1.106388 0.918032
H -1.023105 -0.972961 -0.943374
H -1.002727 -1.032793 0.831204
H -3.603251 -1.059736 -0.912899
H -3.584911 -1.113541 0.861960
H 0.193229 1.253043 -0.879424
H 0.220205 1.184691 0.895311
H -4.963857 1.078064 -0.834341
H -4.945275 1.025192 0.940614
H 1.556125 -0.879385 -0.986564
H 1.578865 -0.957358 0.787009
H -6.165601 -1.197235 0.886806
H -6.184672 -1.143579 -0.888126
H 2.803471 1.254608 0.874987
H 2.765899 1.350665 -0.899141
H -7.529312 0.939109 0.967117
H -7.546887 0.995224 -0.807795
H 4.140534 -0.774080 -1.057477
H 4.157645 -0.904447 0.706778
H -8.763055 -1.225485 -0.866621
H -8.743755 -1.284551 0.906865
H 5.429782 1.279244 0.875420
H 5.309256 1.495562 -0.875535
H -10.143855 0.841304 1.000012
H -10.161385 0.904353 -0.784432
H -10.977523 -0.437097 0.069604
H 7.894690 1.754383 -0.020279
H 7.936045 0.583952 1.340135


