%chk=000002445.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002445

0 1
 Br   5.415900      0.6548000       1.944800    
 O    2.848500     -0.3984000      -1.116300    
 O    1.237900     -0.7279000      -2.657500    
 C   0.6095000      0.5780000     -0.7471000    
 C    1.282500       1.432900      0.3263000    
 C  -0.5163000     -0.2771000     -0.1885000    
 C    2.320400      0.6376000       1.092300    
 C   -1.822800      0.2163000     -4.0399998E-02
 C    1.583400     -0.2248000      -1.589000    
 C    3.318400      8.1699997E-02  0.1320000    
 C  -0.2039000      -1.586700      0.1774000    
 C   -2.826700     -0.6309000      0.4861000    
 C   -2.155100       1.531800     -0.4034000    
 C   -1.191300      -2.419900      0.6948000    
 C   -2.494700      -1.946500      0.8488000    
 C   -4.133400     -0.1379000      0.6342000    
 C   -3.458500       2.005000     -0.2490000    
 C   -4.445700       1.171900      0.2688000    
 C    4.631900      3.9999999E-02  0.3858000    
 H   0.1990000       1.273900      -1.489500    
 H   0.5479000       1.854600       1.022500    
 H    1.777700       2.286500     -0.1574000    
 H    1.850300     -0.1824000       1.646200    
 H    2.756800       1.308300       1.837600    
 H   0.8005000      -1.989100      8.7099999E-02
 H   -1.431000       2.238800     -0.7944000    
 H  -0.9473000      -3.438500      0.9825000    
 H   -3.250300      -2.615100       1.256200    
 H   -4.920900     -0.7713000       1.036900    
 H   -3.702200       3.025800     -0.5290000    
 H   -5.459800       1.541300      0.3896000    
 H    5.342200     -0.3593000     -0.3282000    


%chk=000002445-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002445

0 1
Br 4.847980 -0.032074 2.646397
O 2.907312 -0.364371 -1.047583
O 1.677677 -0.494306 -2.959336
C 0.603498 0.666506 -1.066716
C 1.232423 1.678259 -0.062037
C -0.413925 -0.270478 -0.396474
C 2.099103 0.939317 0.975865
C -1.736585 0.225689 -0.077285
C 1.713035 -0.101072 -1.783783
C 3.120384 0.043710 0.310649
C -0.075879 -1.587917 -0.060636
C -2.671125 -0.654894 0.600803
C -2.181077 1.552246 -0.407020
C -1.002171 -2.452345 0.599100
C -2.275139 -1.992922 0.930140
C -3.983738 -0.176483 0.925879
C -3.467360 1.988917 -0.080910
C -4.378731 1.120573 0.596862
C 4.273777 -0.438907 0.834584
H 0.091749 1.224178 -1.872031
H 0.433522 2.236128 0.455096
H 1.845563 2.410480 -0.621253
H 1.450944 0.329022 1.634277
H 2.625632 1.656310 1.629622
H 0.914838 -1.982650 -0.313945
H -1.511912 2.238944 -0.935397
H -0.700611 -3.476793 0.840851
H -2.991519 -2.648338 1.439058
H -4.676737 -0.854930 1.437572
H -3.784328 3.002790 -0.348661
H -5.383687 1.475709 0.848764
H 4.959987 -1.086899 0.287746


