%chk=000003660.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003660

0 1
 Br  -2.454600       3.864900      7.2999999E-02
 O   -3.755900      -1.361500      -1.228100    
 O    2.366100       1.102500       1.980800    
 N   -2.401200      -2.301000      0.3929000    
 N   -2.852400       1.103000     -3.3900000E-02
 N    2.280100     -0.6843000     -0.9062000    
 N    3.845200      0.5014000      0.2613000    
 N    4.526300     -0.5254000      -1.760900    
 C   0.2312000     -0.4151000      0.5499000    
 C  -0.6794000      0.1817000     -0.5267000    
 C  -1.1000000E-03  -1.907400      0.8168000    
 C   -2.162500      3.1399999E-02 -0.2791000    
 C   -1.373800      -2.196900       1.408500    
 C    1.669200     -0.2322000      0.1383000    
 C  -0.7057000       1.686400     -0.4579000    
 C   -2.846000      -1.286200     -0.4130000    
 C   -1.934200       2.109800     -0.1477000    
 C    2.653000      0.5525000      0.9359000    
 C    3.595700     -0.2237000     -0.8042000    
 H   7.8699999E-02  0.1176000       1.498200    
 H  -0.4362000     -0.1589000      -1.538600    
 H   0.7568000      -2.247800       1.535200    
 H   0.1561000      -2.493900     -9.7700000E-02
 H   -1.353600      -3.164000       1.922500    
 H   -1.672600      -1.435200       2.136700    
 H   0.1571000       2.317700     -0.6159000    
 H   -2.869300      -3.197700      0.3011000    
 H    4.287000      -1.090300      -2.568400    
 H    5.481700     -0.1928000      -1.689600    


%chk=000003660-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003660

0 1
Br -2.362995 3.978820 -0.754982
O -4.002937 -1.513863 -0.993129
O 2.720526 -0.559876 2.457160
N -2.479242 -2.292796 0.574643
N -2.841566 1.142481 -0.379817
N 2.175047 -0.035875 -1.017852
N 4.062919 -0.199857 0.487850
N 4.419643 0.186332 -1.853441
C 0.236922 -0.397166 0.549618
C -0.698604 0.107546 -0.594273
C -0.007841 -1.879550 0.986826
C -2.207763 -0.023490 -0.334899
C -1.416040 -2.112212 1.580046
C 1.683329 -0.250278 0.184621
C -0.580918 1.607592 -0.815755
C -2.982823 -1.316369 -0.268779
C -1.835341 2.127512 -0.648546
C 2.860816 -0.365042 1.227440
C 3.642704 -0.017743 -0.770827
H 0.060971 0.222884 1.453882
H -0.437741 -0.441694 -1.524127
H 0.739344 -2.121758 1.764637
H 0.152434 -2.563927 0.132799
H -1.393752 -3.033864 2.187014
H -1.671520 -1.280755 2.268040
H 0.339379 2.132812 -1.061163
H -3.001400 -3.172936 0.565933
H 3.978210 0.313693 -2.763820
H 5.433939 0.213978 -1.755900


