%chk=000117945.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117945

0 1
 Br  -2.062500       1.630300       2.469700    
 O    2.464100      -3.615800      0.7250000    
 O    5.723900     -0.5102000      -2.403200    
 O    4.671000       3.304800      0.8119000    
 O    1.458400       2.785000       1.456200    
 O   -2.486300      -1.586800      -2.535100    
 O   -3.167400      -3.055900      -1.052900    
 O   -7.352000      0.5812000     -0.9863000    
 O   -7.039500       2.050000      0.6151000    
 N    4.236000      0.7283000     -0.3167000    
 N    1.599600       1.697400     -0.6295000    
 N  -0.5811000     -4.2100001E-02 -0.2502000    
 N   -1.345300     -0.6919000      0.4996000    
 N   -3.025700      -1.872600      -1.440600    
 N   -6.624000       1.120400     -0.1181000    
 C    3.121200     -0.1207000     -0.1336000    
 C    4.464900       1.369000      -1.594900    
 C    5.168100      0.9553000      0.7679000    
 C    1.820000      0.3575000     -0.2880000    
 C    3.337600      -1.455800      0.2075000    
 C   0.7352000     -0.4993000     -0.1012000    
 C    4.603800      0.3195000      -2.684700    
 C    4.706100       2.130300       1.612900    
 C    2.252800      -2.312700      0.3929000    
 C   0.9515000      -1.834600      0.2389000    
 C    1.436700       2.788300      0.2297000    
 C    1.462000      -4.255400       1.514000    
 C    1.219300       4.069800     -0.5352000    
 C   -2.665200     -0.2329000      0.3500000    
 C    2.112000      -5.328400       2.361300    
 C   -3.493300     -0.8166000     -0.6088000    
 C   -3.148400      0.8002000       1.152800    
 C   -4.805000     -0.3684000     -0.7639000    
 C   -5.288600      0.6641000      3.9700001E-02
 C   -4.459900       1.248800      0.9976000    
 H    3.677300       2.079700      -1.855700    
 H    5.393500       1.952600      -1.560400    
 H    5.277200      6.9600001E-02   1.404000    
 H    6.165700       1.166200      0.3633000    
 H    4.347000      -1.844600      0.3196000    
 H    4.779900      0.8097000      -3.648000    
 H    3.713000     -0.3085000      -2.782200    
 H    5.412600       2.298900       2.432100    
 H    3.719300       1.951000       2.044800    
 H   0.1132000      -2.520400      0.3257000    
 H    1.319300       1.839600      -1.597900    
 H   0.9683000      -3.552000       2.196500    
 H   0.7169000      -4.709500      0.8514000    
 H    5.788200      -1.157200      -3.126100    
 H    4.368200       4.030700       1.383800    
 H   0.2008000       4.086400     -0.9324000    
 H    1.934500       4.148300      -1.359100    
 H    1.360700       4.924900      0.1315000    
 H    1.369100      -5.848300       2.972900    
 H    2.623800      -6.061600       1.729100    
 H    2.870300      -4.892900       3.020500    
 H   -5.434300     -0.8380000      -1.517300    
 H   -4.820500       2.055600       1.632100    


%chk=000117945-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117945

0 1
Br -3.828502 -1.998485 2.551176
O 2.777423 -3.102747 2.074059
O 5.471888 -0.290603 -2.984657
O 5.392347 2.630199 1.363077
O 2.809162 3.096073 0.477671
O -1.758856 2.122825 -1.768662
O -1.633679 -0.017484 -2.565134
O -7.069574 1.696109 -1.744705
O -7.904610 0.448431 -0.020157
N 4.078830 0.701023 -0.558780
N 1.204474 1.674890 -0.477885
N -0.677689 -0.072159 0.220221
N -1.656078 -0.834667 0.664791
N -2.102412 0.873817 -1.764886
N -6.931107 0.890842 -0.743848
C 3.038582 0.013754 0.077621
C 3.908344 1.230080 -1.927210
C 5.469019 0.585692 -0.048648
C 1.649758 0.423113 0.012323
C 3.315217 -1.157928 0.836252
C 0.633164 -0.492688 0.474308
C 4.073247 0.165732 -3.024105
C 5.622225 1.195940 1.360505
C 2.298932 -1.989251 1.381159
C 0.945187 -1.703789 1.154623
C 1.762572 2.934750 -0.211484
C 1.777249 -4.044710 2.629290
C 1.014275 4.102743 -0.838880
C -2.933254 -0.397572 0.267182
C 2.554302 -5.144833 3.344377
C -3.198859 0.465055 -0.850640
C -4.074464 -0.839570 1.008739
C -4.481632 0.909792 -1.183654
C -5.560882 0.447584 -0.403423
C -5.376541 -0.431107 0.686432
H 2.908638 1.678824 -2.051644
H 4.653776 2.028110 -2.086991
H 5.836112 -0.461790 -0.072995
H 6.111301 1.147947 -0.744099
H 4.345104 -1.500147 0.960020
H 3.833331 0.628411 -4.006333
H 3.372165 -0.676938 -2.845310
H 6.664549 1.051186 1.696620
H 4.954811 0.680623 2.086805
H 0.120817 -2.337673 1.485440
H 0.225452 1.683546 -0.798432
H 1.112103 -3.495144 3.325892
H 1.164728 -4.451675 1.799200
H 5.618961 -0.980528 -3.678487
H 4.452957 2.814312 1.071293
H 0.928123 4.911632 -0.095326
H 0.013590 3.830343 -1.211351
H 1.604960 4.499161 -1.685089
H 1.852633 -5.880764 3.776925
H 3.223369 -5.670974 2.642574
H 3.166047 -4.724536 4.160402
H -4.663232 1.579198 -2.028590
H -6.244353 -0.763677 1.260426


