%chk=000109513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109513

0 1
 Br   4.909300       3.299500      0.4796000    
 Br   4.908300      -3.300500      0.4777000    
 O  -0.2604000       2.373200      -1.278500    
 O  -0.2606000      -2.371300      -1.281200    
 O  -0.6895000     -1.9999999E-04   1.441900    
 N   -3.282900      1.1000000E-03  -1.127300    
 C  -0.8861000      1.0000000E-03  -1.403900    
 C    1.322400      0.6948000     -0.7053000    
 C    1.322200     -0.6937000     -0.7060000    
 C   1.8999999E-02   1.196300      -1.147000    
 C   1.8999999E-02  -1.194600      -1.148500    
 C   -2.075300      6.0000003E-04 -0.5113000    
 C    2.438600       1.420600     -0.3376000    
 C    2.438100      -1.420300     -0.3384000    
 C    3.593000      0.7143000      4.4900000E-02
 C    3.592600     -0.7147000      4.4700000E-02
 C   -1.916400      9.9999997E-05  0.8630000    
 C   -4.392500      3.0000001E-04 -0.3646000    
 C   -4.327200     -3.9999999E-04   1.044600    
 C    4.757200       1.396400      0.4294000    
 C    4.756300      -1.397400      0.4295000    
 C   -3.061600     -3.0000001E-04   1.646400    
 C    5.902400      0.6950000      0.8081000    
 C    5.902000     -0.6969000      0.8083000    
 C   -5.649900      3.9999999E-04 -0.9621000    
 C   -5.505900     -1.3000000E-03   1.809500    
 C   -6.821900     -6.0000003E-04 -0.2018000    
 C   -6.750300     -1.4000000E-03   1.185700    
 H   -1.154300      1.7000000E-03  -2.466800    
 H    2.383800       2.502900     -0.3580000    
 H    2.382800      -2.502500     -0.3594000    
 H   -2.975100     -7.9999998E-04   2.731200    
 H    6.809100       1.215200       1.107800    
 H    6.808400      -1.217600       1.107800    
 H   -5.733000      1.0000000E-03  -2.047400    
 H   -5.461200     -1.9000000E-03   2.896300    
 H  -0.7945000     -6.0000003E-04   2.408700    
 H   -7.788700     -6.9999998E-04 -0.6968000    
 H   -7.658900     -2.2000000E-03   1.780100    


%chk=000109513-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000109513

0 1
Br 5.190685 3.367972 0.172329
Br 5.191056 -3.368584 0.167086
O -0.307043 2.426034 -0.628837
O -0.306543 -2.426171 -0.632999
O -0.985939 0.000288 1.818732
N -3.304094 -0.000050 -1.005390
C -0.853259 0.000151 -0.952272
C 1.445340 0.714428 -0.446987
C 1.445397 -0.714489 -0.447954
C 0.056929 1.227015 -0.661069
C 0.056827 -1.226873 -0.661447
C -2.193348 0.000003 -0.254271
C 2.618447 1.435825 -0.252599
C 2.618614 -1.436062 -0.254897
C 3.851916 0.734946 -0.051334
C 3.852005 -0.735362 -0.052528
C -2.237588 0.000034 1.187221
C -4.541720 -0.000138 -0.372088
C -4.668268 -0.000180 1.071264
C 5.105410 1.409178 0.156009
C 5.105564 -1.409777 0.153812
C -3.463414 -0.000080 1.847160
C 6.295874 0.713200 0.351506
C 6.295951 -0.713973 0.350397
C -5.719823 -0.000208 -1.181150
C -5.975687 -0.000288 1.654526
C -6.984545 -0.000318 -0.585735
C -7.111626 -0.000360 0.839796
H -1.082706 0.000487 -2.038349
H 2.600280 2.529442 -0.251911
H 2.600516 -2.529679 -0.255610
H -3.521314 -0.000052 2.943393
H 7.236018 1.248699 0.506337
H 7.236154 -1.249610 0.504395
H -5.590401 -0.000179 -2.267655
H -6.076305 -0.000309 2.746587
H -1.066137 0.000358 2.804380
H -7.885422 -0.000373 -1.208584
H -8.109502 -0.000443 1.292035


