%chk=000039612.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039612

0 1
 Br  -6.369100      0.4014000       1.545600    
 O    1.841600       4.060700     -9.9500000E-02
 O  -0.5350000       3.778500     -0.3550000    
 O   -1.166900      -2.799100      -1.445100    
 O    5.527200      -1.800000       1.256900    
 O    3.474800      -1.286900       2.084900    
 N   0.1516000      -1.137400     -0.6539000    
 C    1.800800      0.3909000     -0.3787000    
 C   0.4078000      0.2331000     -0.5210000    
 C    2.376100     -0.9015000     -0.4220000    
 C    1.358200      -1.806900     -0.5826000    
 C    2.358800       1.681200     -0.2272000    
 C  -0.4583000       1.347700     -0.5271000    
 C    3.815800      -1.219500     -0.3095000    
 C    1.485800       2.752600     -0.2314000    
 C   0.1331000       2.590200     -0.3762000    
 C    1.489100      -3.280700     -0.6749000    
 C   -1.108400      -1.758800     -0.7977000    
 C   -2.370300      -1.239300     -0.2363000    
 C   0.5546000       4.704900     -0.1765000    
 C    4.224200      -1.444700       1.129300    
 C   -2.350600     -0.4936000      0.9396000    
 C   -3.575500      -1.498500     -0.8844000    
 C   -3.543700     -4.1000000E-03   1.471100    
 C   -4.768700      -1.008800     -0.3530000    
 C   -4.752800     -0.2615000      0.8248000    
 H    3.427300       1.829600     -0.1117000    
 H   -1.520900       1.274900     -0.7134000    
 H    4.420300     -0.3953000     -0.7047000    
 H    4.067500      -2.114600     -0.8882000    
 H   0.7488000      -3.785100     -4.5100000E-02
 H    1.360900      -3.614700      -1.709600    
 H    2.467600      -3.631700     -0.3338000    
 H   0.3882000       5.269300      0.7483000    
 H   0.5621000       5.405200      -1.019700    
 H   -1.434700     -0.3229000       1.497900    
 H   -3.608700      -2.073600      -1.805800    
 H   -3.515300      0.5663000       2.396000    
 H   -5.702200      -1.217200     -0.8695000    
 H    5.782600      -1.923400       2.195900    


%chk=000039612-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039612

0 1
Br -6.398567 0.230900 1.823501
O 1.910599 4.119493 -0.264151
O -0.446664 3.885669 -0.620723
O -1.232745 -2.761052 -1.739953
O 5.611870 -1.220010 1.394448
O 3.493584 -1.687711 2.224868
N 0.101600 -1.148710 -0.686891
C 1.803381 0.370534 -0.378913
C 0.385843 0.247153 -0.555252
C 2.370049 -0.968189 -0.416459
C 1.338140 -1.874628 -0.625044
C 2.417996 1.649710 -0.247585
C -0.473145 1.371895 -0.663291
C 3.824332 -1.287894 -0.215531
C 1.559258 2.743416 -0.315851
C 0.162200 2.606307 -0.524887
C 1.390815 -3.373326 -0.682588
C -1.159554 -1.750354 -0.984680
C -2.376753 -1.189922 -0.316655
C 0.615763 4.843961 -0.219538
C 4.227387 -1.417174 1.253442
C -2.333854 -0.637878 0.990611
C -3.626628 -1.336168 -0.971676
C -3.520827 -0.224810 1.630836
C -4.817766 -0.909828 -0.351457
C -4.748450 -0.357200 0.946542
H 3.495443 1.772482 -0.113401
H -1.546288 1.305662 -0.841931
H 4.475532 -0.525510 -0.678831
H 4.095333 -2.245291 -0.700766
H 0.713924 -3.832671 0.061329
H 1.085708 -3.758920 -1.669704
H 2.413012 -3.718653 -0.457027
H 0.424666 5.179968 0.817950
H 0.642423 5.671813 -0.943851
H -1.378510 -0.543190 1.516045
H -3.652596 -1.795381 -1.965033
H -3.489660 0.189552 2.642132
H -5.779064 -1.010733 -0.862357
H 5.865912 -1.346610 2.349121


