%chk=000047777.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047777

0 1
 Br  0.3845000       3.680900      0.2845000    
 O  -0.9544000      -1.227000     -0.3090000    
 O    3.157800       2.365700     -0.1259000    
 O   -4.321800     -8.2000002E-02  0.1250000    
 O   -3.565100      -2.224800     -0.2422000    
 N    4.208800      -1.516000      0.2044000    
 C    2.463300      0.1046000     -0.3936000    
 C    3.887800     -0.3168000     -0.5683000    
 C  -0.2014000      0.8892000     -6.7400001E-02
 C   0.1560000     -0.4373000     -0.2856000    
 C    1.468300     -0.8756000     -0.4538000    
 C    2.145400       1.447700     -0.1759000    
 C   0.8155000       1.858200     -1.0500000E-02
 C   -1.616800      0.8937000      4.6700001E-02
 C   -2.022300     -0.4120000     -0.1070000    
 C    3.991200      -1.278500       1.631000    
 C    5.590700      -1.927300     -4.0199999E-02
 C   -3.316600      -1.003200     -8.8000000E-02
 C   -5.672100     -0.5559000      0.1667000    
 C   -6.598800      0.6163000      0.4092000    
 H    4.022700     -0.5291000      -1.638000    
 H    4.607500      0.4729000     -0.3308000    
 H    1.682500      -1.922600     -0.6357000    
 H   -2.259100       1.746200      0.2199000    
 H    2.939500      -1.108300       1.880700    
 H    4.577100     -0.4288000       2.001900    
 H    4.286000      -2.162700       2.209000    
 H    6.313500      -1.165200      0.2732000    
 H    5.748200      -2.135500      -1.104400    
 H    5.816000      -2.856100      0.4960000    
 H    3.828700       2.045500      0.5004000    
 H   -5.917700      -1.034200     -0.7876000    
 H   -5.774800      -1.286200      0.9766000    
 H   -7.641500      0.2893000      0.4470000    
 H   -6.350100       1.115500       1.351600    
 H   -6.490800       1.363400     -0.3841000    


%chk=000047777-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047777

0 1
Br 0.230927 3.852770 -0.028922
O -0.932952 -1.252160 -0.054929
O 3.043851 2.654620 -0.188688
O -4.387424 -0.079090 0.100914
O -3.597957 -2.287183 0.029449
N 4.281362 -1.486405 0.231427
C 2.498105 0.228243 -0.172313
C 3.976497 -0.145445 -0.294087
C -0.245954 0.968110 -0.052158
C 0.182097 -0.394934 -0.088317
C 1.521643 -0.788740 -0.149272
C 2.104991 1.613212 -0.139280
C 0.743396 1.979387 -0.076990
C -1.688283 0.939419 0.005170
C -2.064006 -0.397563 0.001379
C 4.220914 -1.555457 1.706767
C 5.535896 -2.045698 -0.310566
C -3.380634 -1.052797 0.042667
C -5.786213 -0.604953 0.144487
C -6.706584 0.607501 0.233797
H 4.263979 -0.125096 -1.364800
H 4.620268 0.634206 0.211282
H 1.838819 -1.833953 -0.177339
H -2.368854 1.785668 0.043651
H 3.238218 -1.201318 2.060692
H 5.012906 -0.938734 2.201241
H 4.345122 -2.602392 2.033213
H 6.447468 -1.473697 -0.004116
H 5.493605 -2.064457 -1.413940
H 5.655025 -3.084614 0.043548
H 3.967016 2.300492 -0.119007
H -5.959772 -1.204284 -0.767806
H -5.878918 -1.274788 1.018700
H -7.759964 0.274369 0.267086
H -6.498748 1.193835 1.145047
H -6.578140 1.265923 -0.642187


