%chk=000055823.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055823

0 1
 Br   3.901100       3.710100     -0.2765000    
 O   -3.907400      -3.592200      -1.849900    
 O    1.364400      -3.009100      0.5471000    
 O    4.792300      0.7892000      0.3021000    
 O  -0.5720000      -3.008800       1.774500    
 O    4.679400      0.3177000      -1.988000    
 N   -2.608000      -1.997000      0.1168000    
 N  -0.6841000       1.027200      0.4169000    
 C   -2.398000     -0.7419000      0.8353000    
 C  -0.9771000     -0.2684000      0.6941000    
 C   -3.981600      -2.483300      0.3065000    
 C   -2.325600      -1.831700      -1.315900    
 C   0.1772000     -0.9811000      0.8068000    
 C   0.6820000       1.180500      0.3441000    
 C    1.249700     -7.2200000E-02  0.5866000    
 C   -4.179800      -3.786800     -0.4616000    
 C   -2.563800      -3.150200      -2.046500    
 C   -1.617800       2.053000      0.2327000    
 C    1.450900       2.320700      8.4899999E-02
 C    2.653200     -0.1955000      0.5700000    
 C   0.2613000      -2.385800       1.094800    
 C    3.435000      0.9365000      0.3123000    
 C    2.840900       2.174200      7.3500000E-02
 C   -2.036900       2.796400       1.325700    
 C   -2.107900       2.307500      -1.039200    
 C   -2.968100       3.818600       1.142300    
 C   -3.039100       3.329700      -1.222600    
 C   -3.469200       4.085200     -0.1319000    
 C    1.510400      -4.411900      0.7958000    
 C   -4.465000       5.178000     -0.3277000    
 C    5.321100      0.4679000     -0.9568000    
 C    2.770600      -4.904500      0.1168000    
 C    6.811700      0.3282000     -0.8632000    
 H   -2.583700     -0.8968000       1.906600    
 H   -3.125300      4.8000002E-03  0.4989000    
 H   -4.703400      -1.737300     -5.0999999E-02
 H   -4.177500      -2.663900       1.369600    
 H   -1.290200      -1.537400      -1.512200    
 H   -2.980200      -1.060100      -1.743100    
 H   -3.539400      -4.587400     -7.1599998E-02
 H   -5.218700      -4.119400     -0.3698000    
 H   -1.868300      -3.929500      -1.711100    
 H   -2.413900      -3.013000      -3.122200    
 H   0.9824000       3.282400     -0.1004000    
 H    3.134400      -1.150400      0.7615000    
 H   -1.654200       2.597400       2.323300    
 H   -1.781300       1.724500      -1.896300    
 H   -3.297000       4.398900       2.000200    
 H   -3.423800       3.526200      -2.219800    
 H   0.6403000      -4.943800      0.3956000    
 H    1.578400      -4.584200       1.875400    
 H   -4.371300       5.624400      -1.323600    
 H   -4.315800       5.983500      0.3994000    
 H   -5.480300       4.785700     -0.2133000    
 H    3.646400      -4.365400      0.4929000    
 H    2.723700      -4.720900     -0.9616000    
 H    2.914100      -5.975100      0.2874000    
 H    7.064000     -0.4794000     -0.1717000    
 H    7.215900      8.3700001E-02  -1.849700    
 H    7.250400       1.272200     -0.5304000    


%chk=000055823-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055823

0 1
Br 3.928370 3.484626 -0.839922
O -4.542225 -3.053255 -2.148399
O 1.642339 -3.088950 1.176768
O 4.888723 0.575665 -0.112821
O -0.617335 -3.317358 1.707893
O 4.857674 0.173779 -2.428184
N -2.799770 -1.845243 -0.181117
N -0.688342 0.832450 0.354509
C -2.371019 -1.010653 0.968994
C -0.971163 -0.481417 0.767161
C -3.737548 -2.929541 0.200328
C -3.301954 -1.060804 -1.332250
C 0.240425 -1.200899 0.847807
C 0.706741 0.962261 0.158601
C 1.313475 -0.302421 0.455457
C -4.001817 -3.829674 -1.016577
C -3.584935 -1.998079 -2.518223
C -1.628381 1.914939 0.193687
C 1.449900 2.098311 -0.220105
C 2.718555 -0.428310 0.336962
C 0.326820 -2.598080 1.277626
C 3.466507 0.690347 -0.059841
C 2.841994 1.942285 -0.327095
C -2.376144 2.381339 1.300008
C -1.777514 2.535645 -1.068584
C -3.282266 3.449760 1.133549
C -2.678636 3.610439 -1.218944
C -3.452708 4.081298 -0.126199
C 1.832198 -4.506778 1.600791
C -4.447071 5.214171 -0.303609
C 5.503548 0.348073 -1.381923
C 3.312302 -4.828516 1.416149
C 7.003531 0.371321 -1.212360
H -2.347474 -1.664660 1.856812
H -3.085026 -0.177743 1.166529
H -4.713324 -2.525979 0.572371
H -3.267579 -3.524933 1.003876
H -2.538220 -0.318851 -1.631926
H -4.236603 -0.500392 -1.071739
H -3.054246 -4.322866 -1.321639
H -4.765456 -4.592320 -0.791229
H -2.632833 -2.459440 -2.858591
H -4.054704 -1.452303 -3.353485
H 0.974562 3.062383 -0.415576
H 3.216360 -1.376453 0.546509
H -2.228300 1.924562 2.284367
H -1.195409 2.173144 -1.922862
H -3.856087 3.805910 1.997083
H -2.786105 4.086631 -2.200473
H 1.180119 -5.146801 0.979081
H 1.505770 -4.605911 2.652096
H -4.142389 5.898673 -1.114094
H -4.557017 5.806169 0.621676
H -5.449691 4.822715 -0.563706
H 3.940847 -4.169787 2.040207
H 3.614185 -4.705053 0.361812
H 3.506938 -5.875460 1.712560
H 7.306262 -0.258377 -0.359576
H 7.488848 0.026263 -2.136469
H 7.327796 1.404046 -0.990952


