%chk=000096547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096547

0 1
 Br  0.4555000      -3.846600     -0.3892000    
 O   -1.729300      0.2243000     -0.9333000    
 O   -4.147200      -1.347400      0.1686000    
 O   -2.317100       2.950600     -0.7398000    
 N   0.1832000     -0.9501000     -0.1647000    
 N    2.288400      -1.696000     -0.1064000    
 N   0.5874000       1.436000      5.4900002E-02
 N    2.972300       1.923400      0.2299000    
 N    4.640900      0.2089000      0.1833000    
 C   -1.272500     -0.9570000     -0.2522000    
 C   -3.309700     -0.3531000      0.7544000    
 C   -1.980600     -0.9878000       1.094500    
 C   -2.939500      0.6872000     -0.2975000    
 C   -2.661300       2.057500      0.3048000    
 C   0.9788000      0.1555000     -2.8600000E-02
 C    1.020700      -2.037300     -0.2059000    
 C    2.276900     -0.3283000      4.9999999E-03
 C    3.294800      0.6106000      0.1397000    
 C    1.658100       2.249600      0.1826000    
 H   -1.565100      -1.805500     -0.8794000    
 H   -3.834700      5.5000000E-02   1.622000    
 H   -1.448900     -0.3725000       1.830000    
 H   -2.060500      -2.006400       1.486400    
 H   -3.699000      0.7714000      -1.083100    
 H   -1.832000       2.028600       1.017100    
 H   -3.550800       2.443500      0.8128000    
 H   -3.768900      -1.616700     -0.6850000    
 H   -2.146400       3.816700     -0.3320000    
 H    1.436200       3.308800      0.2576000    
 H    4.884400     -0.7701000      0.1160000    
 H    5.362400      0.9102000      0.2816000    


%chk=000096547-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096547

0 1
Br 0.355510 -3.240761 -1.972213
O -2.052603 -0.259625 -1.066251
O -4.391266 -1.096238 0.820855
O -2.074863 2.568836 -1.540890
N 0.104413 -0.941288 -0.169247
N 2.238097 -1.307888 -0.977631
N 0.590676 1.095220 1.215906
N 2.962528 1.740342 1.120491
N 4.559816 0.552608 -0.152879
C -1.352864 -1.107241 -0.062373
C -3.317711 -0.101080 0.969887
C -1.955151 -0.748639 1.318479
C -3.033208 0.637898 -0.353600
C -2.430299 2.044448 -0.218484
C 0.925975 0.073283 0.375197
C 0.972537 -1.717236 -0.977663
C 2.226732 -0.181701 -0.132092
C 3.270085 0.701106 0.271938
C 1.669090 1.876597 1.534453
H -1.552922 -2.154586 -0.348486
H -3.680565 0.568095 1.765112
H -1.311207 -0.024116 1.842585
H -2.096668 -1.639803 1.948854
H -3.922738 0.671420 -1.006099
H -1.548735 2.030562 0.454309
H -3.188037 2.741504 0.179147
H -4.221765 -1.631412 0.002770
H -1.507167 1.884133 -1.982600
H 1.470730 2.717742 2.204903
H 4.805716 -0.207125 -0.784359
H 5.262365 1.217941 0.164083


