%chk=000096545.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096545

0 1
 Br  4.6799999E-02   3.958100     -0.4112000    
 O    1.501000     -0.5837000     -0.9426000    
 O    3.336200       1.977500     -0.3380000    
 O    3.950100      0.1438000       1.583700    
 O    2.461300      -3.236400     -0.8120000    
 O   -4.523400      0.5709000      0.6276000    
 O   -2.018900      -3.293300     -4.8000000E-02
 N  -0.1467000       1.043100     -0.4199000    
 N  -0.9420000      -1.265900     -0.2713000    
 N   -2.059000       2.108600      6.2600002E-02
 N   -3.259300      -1.361200      0.2871000    
 C    1.259900      0.8285000     -0.7639000    
 C    2.235400       1.333200      0.3008000    
 C    2.672400      5.4499999E-02  0.9906000    
 C    2.638200     -0.9529000     -0.1456000    
 C    2.492700      -2.389400      0.3235000    
 C   -1.092900      8.9299999E-02 -0.2090000    
 C  -0.7826000       2.251200     -0.2434000    
 C   -2.249400      0.7559000      8.3300002E-02
 C   -3.456700      2.9800000E-02  0.3612000    
 C   -2.063000      -2.061600     -1.5400000E-02
 H    1.409700       1.310600      -1.737100    
 H    1.823800       2.041100       1.024900    
 H    1.935200     -0.2079000       1.759800    
 H    3.527200     -0.8674000     -0.7838000    
 H    1.566700      -2.545000      0.8858000    
 H    3.336400      -2.690100      0.9512000    
 H    2.988400       2.767500     -0.7861000    
 H    4.162400     -0.7261000       1.961800    
 H  -4.9100000E-02  -1.679700     -0.5085000    
 H    1.713400      -2.956900      -1.367300    
 H   -4.075500      -1.937800      0.4734000    


%chk=000096545-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096545

0 1
Br -0.104269 3.790023 -1.720348
O 1.477601 -0.564071 -1.048490
O 3.076783 2.094277 0.215539
O 3.900236 -0.000569 1.622635
O 3.005538 -3.073283 -1.540730
O -4.792672 0.616129 0.373655
O -1.991872 -3.089642 1.064095
N -0.234794 1.047867 -0.701307
N -1.012162 -1.144895 0.209714
N -2.252838 2.143994 -0.697648
N -3.321898 -1.175332 0.725183
C 1.219854 0.865464 -0.761143
C 1.987609 1.195949 0.561439
C 2.576045 -0.181833 1.020926
C 2.722048 -0.945145 -0.310202
C 2.765093 -2.468094 -0.234697
C -1.186723 0.161388 -0.202775
C -0.964514 2.241108 -0.989101
C -2.417267 0.838549 -0.199058
C -3.620898 0.174458 0.288964
C -2.112314 -1.891209 0.696308
H 1.621136 1.510784 -1.562031
H 1.323633 1.655675 1.317935
H 1.879071 -0.703949 1.705802
H 3.603648 -0.567343 -0.863721
H 1.831486 -2.857247 0.232239
H 3.621883 -2.773070 0.388951
H 3.873601 1.800649 0.742658
H 3.849839 -0.051476 2.608701
H -0.140904 -1.640965 0.008685
H 2.282792 -2.798439 -2.160900
H -4.126071 -1.701453 1.082923


