%chk=000103708.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103708

0 1
 Br  -3.944600       2.000800       1.124100    
 O   -1.942900       1.095600      -1.141800    
 O    4.399800     -0.1359000     -0.5964000    
 N   -1.015000     -0.1716000      0.6022000    
 C   -4.443300     -0.4015000     -0.4086000    
 C   -3.400700      0.2011000      0.5500000    
 C   -3.998700      -1.760600     -0.9671000    
 C   -5.788100     -0.5957000      0.3075000    
 C   -2.042800      0.4455000     -0.1042000    
 C   0.3670000     -0.1632000      0.2963000    
 C    1.247100     -0.8465000       1.118500    
 C   0.8092000      0.5298000     -0.8182000    
 C    3.071200     -0.1437000     -0.3015000    
 C    2.609100     -0.8366000      0.8175000    
 C    2.171300      0.5397000      -1.119400    
 C    5.308700     -0.2378000      0.4988000    
 C    6.592700      0.4806000      0.1424000    
 H   -4.603000      0.2724000      -1.260500    
 H   -3.316500     -0.3858000       1.469800    
 H   -3.813800      -2.477900     -0.1602000    
 H   -4.764400      -2.181300      -1.627800    
 H   -3.078800      -1.664500      -1.552500    
 H   -6.246000      0.3554000      0.5930000    
 H   -6.504200      -1.102900     -0.3489000    
 H   -5.673500      -1.206000       1.210100    
 H   -1.263100     -0.6952000       1.438500    
 H   0.8964000      -1.394100       1.989000    
 H   0.1794000       1.084800      -1.497200    
 H    3.272000      -1.404100       1.463900    
 H    2.526900       1.081500      -1.991700    
 H    4.909600      0.2331000       1.405900    
 H    5.517900      -1.295000      0.6956000    
 H    7.318500      0.4133000      0.9578000    
 H    7.036700      5.0799999E-02 -0.7615000    
 H    6.397400       1.536900     -7.0699997E-02


%chk=000103708-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103708

0 1
Br -3.759139 1.357719 1.861155
O -2.035565 0.521648 -1.304369
O 4.521923 0.317152 -0.440726
N -1.003972 -0.267156 0.656508
C -4.623867 -0.404186 -0.424049
C -3.453638 -0.235090 0.557920
C -4.350135 -1.666253 -1.294071
C -5.990674 -0.532245 0.282666
C -2.104039 0.052401 -0.128972
C 0.380944 -0.105367 0.357689
C 1.315221 -0.447638 1.366955
C 0.856331 0.371803 -0.896427
C 3.170551 0.151624 -0.103522
C 2.702332 -0.322020 1.148289
C 2.238534 0.494930 -1.114581
C 5.532051 -0.018581 0.582255
C 6.898822 0.245056 -0.043674
H -4.625110 0.477990 -1.090918
H -3.393710 -1.090159 1.256803
H -4.294195 -2.579136 -0.669529
H -5.180549 -1.801761 -2.009933
H -3.416464 -1.566218 -1.871118
H -6.248379 0.379979 0.846185
H -6.782759 -0.709001 -0.467110
H -5.997477 -1.385871 0.988163
H -1.209776 -0.581775 1.608707
H 0.960878 -0.813458 2.339644
H 0.140440 0.643070 -1.673767
H 3.394609 -0.591064 1.950853
H 2.619749 0.861811 -2.072408
H 5.370961 0.613617 1.480039
H 5.421566 -1.083616 0.874582
H 7.700143 0.010045 0.680318
H 7.042548 -0.380413 -0.941026
H 6.993344 1.303560 -0.339832


