%chk=000031418.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031418

0 1
 Br   1.541300      -3.821200      4.0700000E-02
 O  -1.1500000E-02   2.559600     -0.1029000    
 O   -1.069400      -2.672100      6.5600000E-02
 N    2.571600       2.190800     -0.1444000    
 C   0.8967000      0.3710000     -6.0400002E-02
 C   0.6279000     -0.9987000     -1.7000001E-02
 C   -1.601300      0.8623000     -2.2700001E-02
 C   -1.870000     -0.5074000      2.1100000E-02
 C  -0.2082000       1.351500     -6.5200001E-02
 C    2.221600      0.8216000     -0.1000000    
 C  -0.7653000      -1.488000      2.5599999E-02
 C    1.684100      -1.917700     -1.3700000E-02
 C    3.271100     -9.7499996E-02 -9.6299998E-02
 C   -2.657400       1.781300     -2.6699999E-02
 C   -3.195000     -0.9581000      6.0800001E-02
 C    3.002900      -1.464300     -5.3399999E-02
 C   -3.976300       1.327800      1.2900000E-02
 C   -4.244500     -3.8899999E-02  5.6400001E-02
 C    3.781800       2.698300      0.4195000    
 H    4.312100      0.2094000     -0.1388000    
 H   -2.477500       2.852400     -6.0300000E-02
 H   -3.435400      -2.017200      9.5200002E-02
 H    3.842800      -2.155300     -5.4600000E-02
 H    1.828000       2.854100     -0.3264000    
 H   -4.795200       2.041400      9.8000001E-03
 H   -5.272200     -0.3891000      8.7200001E-02
 H    4.652900       2.436500     -0.1894000    
 H    3.932900       2.342000       1.444000    
 H    3.737400       3.791800      0.4578000    


%chk=000031418-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031418

0 1
Br 1.578274 -3.908008 -0.029647
O -0.003002 2.621287 0.079924
O -1.113512 -2.779927 -0.071226
N 2.523819 2.193080 0.129277
C 0.878983 0.365339 0.052200
C 0.609051 -1.059904 0.014008
C -1.623143 0.862566 0.018469
C -1.909543 -0.527157 -0.019961
C -0.219865 1.342001 0.051336
C 2.249564 0.849941 0.092654
C -0.816507 -1.545469 -0.029271
C 1.705938 -1.955058 0.018279
C 3.315450 -0.108645 0.093705
C -2.684432 1.803119 0.024143
C -3.257267 -0.966723 -0.052179
C 3.042747 -1.472904 0.058522
C -4.019961 1.360017 -0.007472
C -4.307574 -0.029593 -0.045702
C 3.869573 2.762174 0.176067
H 4.354274 0.229623 0.122921
H -2.431422 2.866842 0.053516
H -3.447692 -2.043750 -0.082139
H 3.866696 -2.192460 0.061421
H 1.672808 2.794788 0.119230
H -4.838793 2.087329 -0.002743
H -5.347506 -0.372079 -0.070395
H 4.463783 2.503321 -0.722704
H 4.431281 2.427409 1.070167
H 3.783879 3.859141 0.221999


