%chk=000072115.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072115

2 1
 Br   9.005200       2.124400     -0.1175000    
 Br  -8.570000       2.734300     -2.2299999E-02
 O    6.104000      -1.407600     -0.6423000    
 O   -6.360900      -1.268700     -0.5348000    
 N    1.439800     -1.5200000E-02  0.6238000    
 N   -1.491500     -0.7253000      0.5235000    
 N    4.180600     -0.1256000     -0.4018000    
 N   -4.233400     -0.3397000     -0.4290000    
 C   0.5490000     -5.1899999E-02   1.878100    
 C   0.5527000      0.2933000     -0.5871000    
 C  -0.6008000      -1.036900       1.739200    
 C  -0.6043000     -0.6860000     -0.7255000    
 C    2.460000       1.129700      0.8385000    
 C    2.225800      -1.335600      0.4946000    
 C   -2.277700      0.5793000      0.7646000    
 C   -2.511300      -1.885600      0.4130000    
 C    3.509800       1.167200     -0.2649000    
 C    3.284300      -1.260600     -0.5983000    
 C   -3.339200      0.8117000     -0.3048000    
 C   -3.559300      -1.613500     -0.6571000    
 C    5.561700     -0.3171000     -0.4446000    
 C   -5.627200     -0.2825000     -0.4285000    
 C    6.421000      0.9033000     -0.2288000    
 C   -6.248200       1.084100     -0.2840000    
 C    7.884800      0.5395000     -0.3033000    
 C   -7.755200      0.9849000     -0.3007000    
 H    1.186600     -0.3305000       2.725400    
 H   0.1876000      0.9672000       2.054200    
 H   0.1944000       1.322200     -0.4762000    
 H    1.171200      0.2587000      -1.487300    
 H   -1.238400      -1.003500       2.630500    
 H  -0.2394000      -2.064900       1.626600    
 H  -0.2459000      -1.705300     -0.9041000    
 H   -1.222900     -0.4031000      -1.580800    
 H    1.902000       2.071500      0.8868000    
 H    2.937400      0.9493000       1.809600    
 H    2.701600      -1.514200       1.466600    
 H    1.524700      -2.149000      0.2957000    
 H   -1.576200       1.415700      0.7974000    
 H   -2.752300      0.4827000       1.748700    
 H   -2.988400      -1.981100       1.396200    
 H   -1.953500      -2.803900      0.1981000    
 H    4.216600       1.968300     -4.1600000E-02
 H    3.065500       1.410400      -1.235900    
 H    2.834700      -1.161300      -1.591800    
 H    3.851900      -2.197100     -0.6065000    
 H   -3.886200       1.722300     -5.4299999E-02
 H   -2.889200      0.9851000      -1.288000    
 H   -3.117100      -1.580900      -1.658500    
 H   -4.283900      -2.434500     -0.6633000    
 H    6.183300       1.643400      -1.001700    
 H    6.192700       1.333100      0.7532000    
 H   -5.920500       1.520400      0.6666000    
 H   -5.903500       1.724600      -1.103600    
 H    8.153900      9.4700001E-02  -1.266300    
 H    8.182500     -0.1426000      0.4987000    
 H   -8.138500      0.3459000      0.5007000    
 H   -8.134400      0.6186000      -1.259500    


%chk=000072115-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072115

2 1
Br 9.219728 2.005072 0.102078
Br -8.801384 2.629071 0.136203
O 6.047890 -1.563104 -0.456740
O -6.325775 -1.446676 -0.475287
N 1.476035 0.037675 0.579315
N -1.519628 -0.662113 0.484382
N 4.255172 -0.104155 -0.396261
N -4.301026 -0.329779 -0.437364
C 0.570313 0.013114 1.822846
C 0.579887 0.332512 -0.636337
C -0.615402 -0.950800 1.695728
C -0.623507 -0.614512 -0.764765
C 2.515560 1.188496 0.778375
C 2.266681 -1.305413 0.433836
C -2.334325 0.649696 0.694790
C -2.542700 -1.852641 0.362433
C 3.607674 1.204058 -0.311942
C 3.345689 -1.224749 -0.652476
C -3.436411 0.844488 -0.372004
C -3.604182 -1.592243 -0.707952
C 5.656818 -0.370858 -0.354862
C -5.727611 -0.344094 -0.379026
C 6.594312 0.821285 -0.178919
C -6.435538 0.996121 -0.191031
C 8.066829 0.381393 -0.188986
C -7.962498 0.824626 -0.167445
H 1.184449 -0.296469 2.685648
H 0.241188 1.050880 2.003705
H 0.269923 1.388242 -0.552888
H 1.188121 0.239548 -1.549753
H -1.231989 -0.875004 2.607475
H -0.286667 -2.000343 1.606024
H -0.310339 -1.652288 -0.969321
H -1.231897 -0.283551 -1.621092
H 1.950501 2.137138 0.801317
H 2.971127 1.007269 1.767238
H 2.731589 -1.484268 1.418426
H 1.545489 -2.110602 0.220692
H -1.633150 1.500322 0.694553
H -2.792332 0.555528 1.694208
H -3.013128 -1.943181 1.356763
H -1.951217 -2.760155 0.148154
H 4.334992 1.980559 -0.024626
H 3.189162 1.516612 -1.292581
H 2.907191 -1.167976 -1.671278
H 3.955658 -2.149633 -0.619835
H -4.012610 1.735890 -0.074638
H -2.991786 1.080213 -1.363828
H -3.178871 -1.612919 -1.732546
H -4.363329 -2.398011 -0.661541
H 6.430002 1.562937 -0.985591
H 6.380212 1.339251 0.777811
H -6.111915 1.469850 0.757770
H -6.160037 1.694068 -1.006384
H 8.371547 -0.046494 -1.153681
H 8.303885 -0.318035 0.624026
H -8.302488 0.181219 0.655219
H -8.359884 0.455032 -1.122433


