%chk=000050505.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050505

0 1
 Br -0.1745000       4.253000      0.8216000    
 O    5.383300      -2.405800       1.095300    
 O   -1.489200     -0.5323000     -0.4465000    
 O    2.564200       3.110500     -6.1600000E-02
 N    3.694600     -0.7384000     -0.4764000    
 C    3.288900      0.5606000      -1.009100    
 C    3.613900     -0.7489000      0.9910000    
 C    5.057900      -1.076700     -0.9080000    
 C    4.053800      -2.109300       1.524400    
 C    5.462900      -2.429800     -0.3304000    
 C    1.873100      0.9049000     -0.6298000    
 C   0.9016000     -8.5600004E-02 -0.7594000    
 C    1.566600       2.181400     -0.1664000    
 C  -0.3944000      0.2777000     -0.3977000    
 C  -0.7492000       1.538700      7.0200004E-02
 C   0.2531000       2.517100      0.1900000    
 C   -2.146200       1.479700      0.3172000    
 C   -2.544600      0.2048000     -1.1900000E-02
 C   -3.805400     -0.4812000      9.3999999E-03
 C   -4.959900      0.1811000      0.4384000    
 C   -3.888700      -1.816600     -0.3978000    
 C   -6.185200     -0.4852000      0.4603000    
 C   -5.114100      -2.482700     -0.3759000    
 C   -6.262300      -1.816900      5.3100001E-02
 H    3.334000      0.5435000      -2.106200    
 H    3.995600       1.331600     -0.6791000    
 H    2.599400     -0.5702000       1.360300    
 H    4.265000      2.9800000E-02   1.410500    
 H    5.767000     -0.3100000     -0.5692000    
 H    5.109000      -1.127400      -2.001600    
 H    4.053700      -2.098500       2.619100    
 H    3.376800      -2.909400       1.200500    
 H    4.833900      -3.240200     -0.7187000    
 H    6.498900      -2.655900     -0.6019000    
 H    1.114300      -1.080900      -1.131700    
 H   -2.776200       2.275600      0.6896000    
 H    2.178500       3.937700      0.2749000    
 H   -4.933800       1.218400      0.7622000    
 H   -3.017200      -2.370300     -0.7386000    
 H   -7.079500      3.2800000E-02  0.7943000    
 H   -5.174800      -3.519800     -0.6929000    
 H   -7.216400      -2.335600      7.0100002E-02


%chk=000050505-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050505

0 1
Br -0.413632 4.538072 0.297870
O 5.403855 -2.811715 0.775131
O -1.431663 -0.582019 -0.254764
O 2.504802 3.367725 -0.175337
N 3.803531 -0.637039 -0.297736
C 3.432689 0.761252 -0.611935
C 3.881227 -0.888959 1.165952
C 5.061026 -1.066108 -0.961271
C 4.156304 -2.377837 1.427609
C 5.318382 -2.554779 -0.672115
C 1.946832 1.033755 -0.395210
C 1.001447 -0.012974 -0.435480
C 1.508318 2.381857 -0.183305
C -0.345093 0.315542 -0.252618
C -0.823998 1.641136 -0.029892
C 0.137607 2.674247 0.000992
C -2.258268 1.544468 0.109255
C -2.601405 0.203342 -0.030326
C -3.872959 -0.515525 0.006503
C -5.090547 0.187071 0.232802
C -3.916455 -1.925563 -0.183531
C -6.317259 -0.503695 0.267110
C -5.147681 -2.611152 -0.148368
C -6.353488 -1.906370 0.076570
H 3.677123 0.947482 -1.677363
H 4.027035 1.502082 -0.028194
H 2.922038 -0.600283 1.633704
H 4.691144 -0.276259 1.635394
H 5.939485 -0.470638 -0.606505
H 4.963149 -0.915348 -2.053411
H 4.302727 -2.573752 2.502496
H 3.305541 -2.985665 1.049766
H 4.499441 -3.164114 -1.112599
H 6.287160 -2.878783 -1.087095
H 1.353020 -1.034222 -0.602025
H -2.942775 2.370385 0.288017
H 2.101576 4.259911 -0.001909
H -5.076068 1.272394 0.381821
H -2.982586 -2.468155 -0.357469
H -7.246550 0.049333 0.442260
H -5.167640 -3.696424 -0.296610
H -7.308990 -2.441377 0.103416


