%chk=000002869.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002869

0 1
 Br  -6.334800      -3.837400       1.083700    
 O    6.697500      -1.974000      -1.975300    
 O    2.585700       1.483900       2.069700    
 O    1.151900       3.019700     -8.3800003E-02
 N    4.110500     -0.4305000      -1.812100    
 N   -5.418800       1.750500     -0.9340000    
 N   3.4200002E-02   1.025400      0.4728000    
 C    4.512600     -9.7199999E-02  0.3569000    
 C    5.012100     -0.6904000     -0.8047000    
 C    3.281400      0.5268000      1.1000000E-02
 C   -4.709200     -0.1631000     -3.3000000E-02
 C   -5.833200      0.5025000     -0.5268000    
 C   -3.636600      0.7336000     -0.1663000    
 C    3.061300      0.3045000      -1.328900    
 C    6.219100      -1.398000     -0.8325000    
 C    5.252400     -0.2147000       1.550300    
 C   -4.075200       1.896500     -0.7154000    
 C   -4.858500      -1.476600      0.4546000    
 C    2.393000       1.266000      0.8620000    
 C   -7.104300     -8.2300000E-02 -0.5574000    
 C    6.935500      -1.501300      0.3633000    
 C    6.461500     -0.9195000       1.537500    
 C   -2.262200      0.5028000      0.2070000    
 C   -6.123900      -2.074200      0.4302000    
 C   -7.228100      -1.385900     -6.8499997E-02
 C    1.106900       1.881600      0.3557000    
 C   -1.231200       1.351500      8.4100001E-02
 H    4.206000     -0.7363000      -2.770500    
 H    2.257000      0.5992000      -1.989000    
 H    4.902600      0.2302000       2.477100    
 H   -6.020200       2.456300      -1.336100    
 H   -3.585400       2.823500     -0.9806000    
 H   -3.999000      -2.015600      0.8441000    
 H   -7.964500      0.4529000     -0.9454000    
 H    7.878200      -2.043300      0.3825000    
 H    7.036400      -1.013500       2.455000    
 H   -2.050800     -0.4759000      0.6363000    
 H   -8.209900      -1.854500     -8.5299999E-02
 H   -1.352100       2.345300     -0.3326000    
 H   0.1836000      0.1002000      0.8679000    
 H    6.075000      -1.802400      -2.701500    


%chk=000002869-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002869

0 1
Br -7.297674 -2.303456 3.112081
O 8.328870 0.295752 -1.035752
O 1.951783 -1.029595 0.987943
O 1.066046 1.253545 -1.662496
N 5.290516 0.951493 -1.599919
N -5.725609 1.453983 -1.455796
N -0.194934 0.017732 -0.115763
C 4.781063 -0.471695 0.126489
C 5.862279 0.096768 -0.625609
C 3.543445 0.074683 -0.434057
C -5.214086 0.006111 0.231066
C -6.296870 0.649922 -0.462258
C -3.965411 0.451294 -0.380814
C 3.912471 0.938684 -1.486472
C 7.211554 -0.220825 -0.343022
C 5.052329 -1.377126 1.180949
C -4.333754 1.336931 -1.409272
C -5.506211 -0.879015 1.301581
C 2.199145 -0.226631 0.016746
C -7.648694 0.436270 -0.119537
C 7.467432 -1.123103 0.707526
C 6.400769 -1.689476 1.454384
C -2.632432 0.032507 0.028082
C -6.855096 -1.081794 1.631555
C -7.925844 -0.444544 0.945303
C 0.996028 0.435618 -0.688940
C -1.455190 0.446614 -0.539653
H 5.792703 1.500787 -2.295183
H 3.256296 1.519965 -2.130200
H 4.229093 -1.809546 1.753055
H -6.241958 2.034989 -2.112737
H -3.705737 1.888305 -2.106478
H -4.713076 -1.389351 1.855076
H -8.467912 0.930071 -0.652503
H 8.508815 -1.373564 0.930707
H 6.641291 -2.386996 2.263635
H -2.585203 -0.677473 0.866276
H -8.959132 -0.639075 1.244810
H -1.410557 1.151107 -1.376621
H -0.075333 -0.646767 0.664219
H 8.075283 0.933201 -1.746401


