%chk=000059862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059862

0 1
 Br   4.893700     -7.9099998E-02 -0.6016000    
 O    1.043200     -0.9430000      0.3084000    
 O    2.725000      -2.419500     -0.1975000    
 N   -1.446000      0.4514000     -0.2400000    
 C   0.9250000      0.4880000      0.4229000    
 C  -0.1117000      0.9478000     -0.5813000    
 C   -1.451900      -1.015200     -0.2598000    
 C   -2.475200       1.069400      -1.077600    
 C   -2.813500      -1.713500     -0.1903000    
 C   -3.751600       1.316300     -0.2684000    
 C   -3.822400      -1.053500      0.7440000    
 C   -4.582700      7.9400003E-02  5.9099998E-02
 C    2.304200      0.9721000      0.1066000    
 C   0.4908000      0.8070000       1.853000    
 C    3.115300     -5.3100001E-02 -0.1568000    
 C    2.637700       2.427100      0.1098000    
 C    2.320200      -1.281700     -3.0600000E-02
 H   0.1574000      0.6324000      -1.599200    
 H  -0.1319000       2.045600     -0.5813000    
 H  -0.9808000      -1.385300      0.6539000    
 H  -0.9253000      -1.417100      -1.134900    
 H   -2.675100      0.4913000      -1.988000    
 H   -2.143000       2.058700      -1.419200    
 H   -2.646700      -2.745000      0.1475000    
 H   -3.238300      -1.794900      -1.198800    
 H   -4.388500       2.010000     -0.8321000    
 H   -3.496800       1.836000      0.6650000    
 H   -3.341900     -0.7037000       1.664900    
 H   -4.557500      -1.811700       1.041600    
 H   -5.044900     -0.2965000     -0.8625000    
 H   -5.410700      0.3869000      0.7099000    
 H  -0.3894000      0.2380000       2.169300    
 H    1.280300      0.5353000       2.565100    
 H   0.2787000       1.873700       1.984000    
 H    2.059700       2.957300     -0.6529000    
 H    3.695700       2.613600     -9.5399998E-02
 H    2.413700       2.870300       1.085000    


%chk=000059862-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059862

0 1
Br 5.065925 0.059428 -0.026296
O 1.096839 -0.942903 0.757485
O 2.919567 -2.416317 0.733471
N -1.391974 0.176721 -0.648738
C 0.882429 0.523717 0.472286
C -0.016725 0.617749 -0.823412
C -1.607714 -1.274128 -0.867482
C -2.487053 1.112623 -0.985292
C -3.048232 -1.758138 -0.586907
C -3.476343 1.349688 0.184926
C -3.686209 -1.206171 0.714083
C -4.401233 0.154195 0.511775
C 2.287799 1.060054 0.201782
C 0.210120 1.133095 1.707128
C 3.161888 0.013692 0.257553
C 2.558892 2.503786 -0.094466
C 2.476998 -1.265419 0.595163
H 0.516271 0.032761 -1.609574
H -0.007884 1.679171 -1.137848
H -0.908658 -1.811311 -0.201470
H -1.335909 -1.561295 -1.915312
H -3.050619 0.767999 -1.882677
H -2.036232 2.086104 -1.260269
H -3.004704 -2.863978 -0.546366
H -3.712900 -1.511225 -1.439216
H -4.107560 2.230665 -0.057018
H -2.879011 1.615697 1.079018
H -2.912323 -1.121272 1.502704
H -4.435828 -1.934432 1.081993
H -5.141228 0.034245 -0.307816
H -4.984871 0.400215 1.421793
H -0.764059 0.638859 1.854060
H 0.835161 0.991051 2.604620
H 0.030609 2.213985 1.560689
H 2.086940 2.809685 -1.048859
H 3.640503 2.699102 -0.174248
H 2.142129 3.157102 0.694538


