%chk=000049591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049591

0 1
 Br   5.283200      -2.249900     -2.0000001E-03
 O   0.9231000       1.965900      1.0200000E-02
 O   -1.283400       2.543300     -2.8800000E-02
 N   -4.899600     -0.9721000      1.6500000E-02
 C    1.563200     -0.3756000     -5.9000002E-03
 C  -0.7986000      0.2139000     -1.4800000E-02
 C    1.915600      0.9684000      7.4000000E-03
 C   0.1538000     -0.7315000     -1.1500000E-02
 C   -2.214900     -0.1977000     -4.6000001E-03
 C  -0.4347000       1.657500     -9.4999997E-03
 C    2.575500      -1.338400     -9.3999999E-03
 C    3.247400       1.378100      1.6700000E-02
 C    3.916400     -0.9434000     -3.9999999E-04
 C    4.251300      0.4124000      1.2500000E-02
 C   -2.877500     -0.3818000       1.203200    
 C   -2.891400     -0.3998000      -1.201900    
 C   -4.208200     -0.7660000       1.159800    
 C   -4.221300     -0.7832000      -1.137600    
 H  -9.7400002E-02  -1.788500     -9.8999999E-03
 H    2.318800      -2.395800     -1.8400000E-02
 H    3.505400       2.432600      2.6699999E-02
 H    5.290700      0.7304000      2.0000000E-02
 H   -2.382500     -0.2319000       2.157100    
 H   -2.407200     -0.2642000      -2.163500    
 H   -4.771100     -0.9226000       2.074100    
 H   -4.794600     -0.9533000      -2.043000    


%chk=000049591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049591

0 1
Br 5.383363 -2.110197 -0.986037
O 0.986270 1.852551 0.668607
O -1.190928 2.453097 1.035830
N -4.992768 -1.011322 -0.063906
C 1.595978 -0.365768 -0.164911
C -0.804623 0.194597 0.158810
C 1.962474 0.936103 0.281072
C 0.192606 -0.698807 -0.206462
C -2.242834 -0.179582 0.079451
C -0.434127 1.545268 0.647662
C 2.627262 -1.274463 -0.541115
C 3.310525 1.342459 0.354140
C 3.964405 -0.863879 -0.467444
C 4.320043 0.436956 -0.023932
C -3.223625 0.343992 0.965684
C -2.691052 -1.119229 -0.892444
C -4.560231 -0.099372 0.856865
C -4.047556 -1.500522 -0.923335
H -0.085002 -1.710815 -0.522484
H 2.365976 -2.280429 -0.883552
H 3.551679 2.350349 0.701906
H 5.371050 0.734252 0.024729
H -2.957027 1.086703 1.719575
H -2.005139 -1.527479 -1.642440
H -5.327157 0.292119 1.534209
H -4.407562 -2.219781 -1.667477


