%chk=000124920.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124920

0 1
 Br   2.440400      -3.761600       1.771300    
 Br  -2.553700      -3.713500      -1.770300    
 O    3.293200     -0.3228000      -3.123100    
 O   -3.310600     -0.2487000       3.121500    
 O    3.929100       3.765800       2.081300    
 O   -3.806200       3.857200      -2.081400    
 O    3.147400       1.716300       2.673600    
 O   -3.085000       1.785900      -2.674400    
 N    1.875200       1.484000      0.2480000    
 N   -1.824800       1.511800     -0.2462000    
 C   0.6109000       1.496400     -0.4869000    
 C  -0.5638000       1.481500      0.4867000    
 C    2.959200       1.003100     -0.6079000    
 C   -2.927000       1.065600      0.6073000    
 C    2.182000       2.819100      0.7599000    
 C   -2.090800       2.857300     -0.7576000    
 C    2.931600     -0.4946000     -0.7598000    
 C   -2.947800     -0.4321000      0.7593000    
 C    3.100200      -1.086800      -2.011600    
 C   -3.138700      -1.018500       2.010500    
 C    2.734800      -1.291700      0.3679000    
 C   -2.773200      -1.235300     -0.3677000    
 C    3.125900       2.683300       1.922600    
 C   -3.036000       2.751000      -1.922400    
 C    3.071500      -2.475900      -2.135800    
 C   -3.154900      -2.407900       2.135000    
 C    2.706700      -2.680700      0.2439000    
 C   -2.789900      -2.624500     -0.2437000    
 C    2.875000      -3.272900      -1.007900    
 C   -2.980600      -3.210900       1.007700    
 H   0.5911000       2.345700      -1.179000    
 H   0.5149000      0.5984000      -1.112200    
 H  -0.5280000       2.306000       1.208400    
 H  -0.4777000      0.5592000       1.076700    
 H    2.937900       1.519100      -1.576300    
 H    3.939100       1.233600     -0.1678000    
 H   -3.897800       1.327600      0.1646000    
 H   -2.891200       1.580600       1.575800    
 H    2.626400       3.453800     -1.6600000E-02
 H    1.306100       3.344400       1.153400    
 H   -2.519700       3.502000      1.9600000E-02
 H   -1.203300       3.363200      -1.148800    
 H    2.614800     -0.8391000       1.349300    
 H   -2.636000     -0.7869000      -1.348800    
 H    3.200900      -2.950400      -3.104900    
 H   -3.302200      -2.877900       3.103700    
 H    2.855100      -4.353600      -1.121700    
 H   -2.995600      -4.291800       1.121500    
 H    3.389100     -0.9053000      -3.896000    
 H   -3.427200     -0.8279000       3.894100    
 H    4.525500       3.668700       2.854200    
 H   -4.403700       3.778800      -2.855400    


%chk=000124920-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124920

0 1
Br 1.371496 -2.766619 3.343890
Br -3.562340 -2.807773 -3.233796
O 3.139205 -1.536735 -2.446699
O -1.507487 -1.027182 2.313885
O 3.976836 4.205255 1.603257
O -3.832715 4.542647 -1.638941
O 3.730773 1.963547 2.166865
O -4.030640 2.248402 -1.933664
N 1.881469 1.621486 -0.023223
N -1.932194 1.846782 0.051508
C 0.497049 1.632279 -0.553531
C -0.548323 1.800434 0.575574
C 2.800707 0.664738 -0.677175
C -2.885275 0.910407 0.708021
C 2.452048 2.935006 0.253881
C -2.445086 3.180569 -0.236667
C 2.549593 -0.775370 -0.238759
C -2.665067 -0.528727 0.254899
C 2.733740 -1.858913 -1.137089
C -1.982566 -1.473156 1.066816
C 2.158150 -1.058709 1.090365
C -3.123385 -0.937311 -1.021664
C 3.426674 2.923887 1.432206
C -3.495795 3.210398 -1.346765
C 2.524715 -3.195939 -0.723511
C -1.788240 -2.804707 0.624787
C 1.946927 -2.390650 1.484328
C -2.917862 -2.260061 -1.453491
C 2.125545 -3.472745 0.601994
C -2.258195 -3.206666 -0.643225
H 0.351192 2.418002 -1.333814
H 0.302240 0.664312 -1.046412
H -0.314307 2.705451 1.185313
H -0.454113 0.940799 1.259693
H 2.750604 0.717876 -1.786596
H 3.836401 0.934831 -0.393243
H -3.906345 1.213437 0.419343
H -2.810640 0.965381 1.815134
H 2.987337 3.400900 -0.610109
H 1.646597 3.644590 0.519110
H -2.901231 3.705218 0.642839
H -1.616631 3.832176 -0.570446
H 2.030792 -0.211556 1.770803
H -3.615446 -0.195865 -1.659208
H 2.667682 -4.025757 -1.427093
H -1.267986 -3.528208 1.263476
H 1.960949 -4.503566 0.926927
H -2.110045 -4.234250 -0.986827
H 3.164709 -2.343009 -3.019022
H -0.894031 -1.690201 2.730620
H 4.600207 4.195430 2.379354
H -4.529086 4.557537 -2.350320


