%chk=000088514.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088514

0 1
 Br  -2.978900       2.415700      -1.443700    
 O    5.891500      -3.435200     -0.6831000    
 O   -7.727200      -1.171800      0.9288000    
 O   -7.842000      0.8503000      8.2099997E-02
 N    4.484000     -5.5000000E-02 -0.3807000    
 N   -1.043000      0.1591000      0.4861000    
 N   -1.651700     -0.2833000     -0.5164000    
 N    6.953400       1.279800       2.026300    
 N   -7.185100     -0.1694000      0.4036000    
 C    5.242700      -1.227800      6.6999998E-03
 C    5.176700       1.067100     -0.9822000    
 C    3.091700     -1.2000001E-03 -0.1626000    
 C    5.114700      -2.304500      -1.057600    
 C    5.451000       2.154200      5.1700000E-02
 C    2.372200       1.137100     -0.5266000    
 C    2.434100      -1.086000      0.4175000    
 C   0.9953000       1.190500     -0.3104000    
 C    1.057100      -1.032700      0.6335000    
 C   0.3376000      0.1055000      0.2695000    
 C    6.290800       1.664300       1.154800    
 C   -3.039100     -0.2295000     -0.2981000    
 C   -3.785000      0.8933000     -0.6485000    
 C   -3.660100      -1.332300      0.2833000    
 C   -5.785300     -0.1894000      0.1661000    
 C   -5.160300      0.9132000     -0.4161000    
 C   -5.035300      -1.312300      0.5159000    
 H    4.983200      -1.596800       1.006400    
 H    6.309200     -0.9829000      9.9600002E-02
 H    4.644800       1.467100      -1.853300    
 H    6.136900      0.7244000      -1.392900    
 H    4.085100      -2.636500      -1.216100    
 H    5.492800      -1.944100      -2.020300    
 H    5.963100       2.988000     -0.4430000    
 H    4.525000       2.563100      0.4678000    
 H    2.819800       2.011200     -0.9856000    
 H    2.934900      -1.997000      0.7255000    
 H   0.4438000       2.082200     -0.5965000    
 H   0.5530000      -1.882200       1.087200    
 H    5.535700      -3.768000      0.1585000    
 H   -3.084600      -2.212300      0.5588000    
 H   -5.729800       1.797100     -0.6952000    
 H   -5.488200      -2.189300      0.9711000    


%chk=000088514-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088514

0 1
Br -3.432950 2.699909 -1.702683
O 6.641384 -3.294556 -0.703642
O -7.906914 -1.127990 1.124821
O -8.219299 0.790398 -0.074876
N 4.565152 -0.130952 -0.357806
N -1.074236 -0.603992 0.075462
N -1.819088 0.412344 -0.318335
N 6.865511 1.516569 2.258998
N -7.463474 -0.121482 0.444042
C 5.451967 -1.245860 0.045658
C 5.218663 1.086336 -0.867362
C 3.174546 -0.225256 -0.264308
C 5.622588 -2.307871 -1.072068
C 5.334246 2.226064 0.196321
C 2.323313 0.867405 -0.662029
C 2.538723 -1.412736 0.232806
C 0.934340 0.776890 -0.570028
C 1.146333 -1.492811 0.331199
C 0.313630 -0.407654 -0.065666
C 6.178227 1.844520 1.340421
C -3.212917 0.216448 -0.125461
C -4.110393 1.187047 -0.667200
C -3.771001 -0.875563 0.609896
C -6.002295 -0.011360 0.248380
C -5.498787 1.083358 -0.488249
C -5.151510 -0.998353 0.801457
H 5.075568 -1.714968 0.973970
H 6.447984 -0.840027 0.290508
H 4.674255 1.483042 -1.742661
H 6.229651 0.817043 -1.216545
H 4.651875 -2.785968 -1.315629
H 6.012199 -1.832915 -1.987936
H 5.764575 3.126552 -0.282616
H 4.329448 2.497523 0.568829
H 2.754932 1.792814 -1.053698
H 3.134520 -2.274535 0.542679
H 0.293424 1.608485 -0.879332
H 0.664307 -2.398928 0.712745
H 6.296872 -3.887431 0.010720
H -3.070345 -1.609999 1.017826
H -6.192437 1.819736 -0.900225
H -5.588087 -1.827572 1.363517


