%chk=000095581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095581

0 1
 Br  -3.994000       2.689400     -0.3814000    
 O   -3.035100      -1.120700     -0.3520000    
 O   -3.919600      0.1915000       1.323800    
 C    2.274800      0.1181000     -0.2816000    
 C    1.156800       1.060000      0.1696000    
 C    3.635200      0.5792000      0.2491000    
 C  -0.2156000      0.6988000     -0.4068000    
 C    4.749200     -0.3803000     -0.1752000    
 C   -1.367900       1.637600     -2.6500000E-02
 C    6.127700      1.8300001E-02  0.3562000    
 C   -2.732700       1.198700     -0.5446000    
 C    7.234400     -0.9464000     -4.1299999E-02
 C   -3.319500      6.4999998E-02  0.2643000    
 C   -3.492500      -2.294700      0.3265000    
 C   -3.101100      -3.514500     -0.4801000    
 H    2.060600     -0.8975000      7.2300002E-02
 H    2.303700      8.0200002E-02  -1.377300    
 H    1.404500       2.085500     -0.1314000    
 H    1.098000       1.057800       1.265000    
 H    3.601900      0.6388000       1.343600    
 H    3.857000       1.586400     -0.1237000    
 H  -0.4605000     -0.3192000     -8.0799997E-02
 H  -0.1431000      0.6638000      -1.501300    
 H    4.787400     -0.4300000      -1.270400    
 H    4.509700      -1.390700      0.1790000    
 H   -1.396900       1.731800       1.067200    
 H   -1.123400       2.635500     -0.4132000    
 H    6.090700      8.0499999E-02   1.450400    
 H    6.381900       1.019900     -1.0400000E-02
 H   -2.723500      0.9581000      -1.611900    
 H    7.326100      -1.007100      -1.130200    
 H    8.194400     -0.6123000      0.3642000    
 H    7.032600      -1.951200      0.3430000    
 H   -3.032400      -2.344600       1.319700    
 H   -4.582400      -2.254500      0.4317000    
 H   -3.539000      -3.470300      -1.482700    
 H   -2.014600      -3.558100     -0.6096000    
 H   -3.435500      -4.432300      1.1400000E-02


%chk=000095581-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095581

0 1
Br -3.972700 2.130601 -0.425586
O -3.669232 -1.334403 -0.464993
O -2.621966 -0.612542 1.491736
C 2.615827 0.119681 -0.222476
C 1.396073 1.027411 0.051729
C 3.949032 0.735211 0.259345
C 0.057578 0.399202 -0.399700
C 5.176791 -0.157568 -0.029222
C -1.139023 1.351707 -0.138186
C 6.507146 0.455568 0.464453
C -2.466409 0.734410 -0.577853
C 7.730688 -0.438544 0.168923
C -2.907466 -0.445106 0.284333
C -4.230315 -2.508705 0.279125
C -5.055970 -3.309739 -0.720862
H 2.463864 -0.860420 0.276067
H 2.680860 -0.090915 -1.310621
H 1.539762 1.999621 -0.464459
H 1.342914 1.253562 1.136499
H 3.887728 0.931825 1.350239
H 4.093543 1.723316 -0.226220
H -0.097262 -0.553699 0.143930
H 0.112568 0.152151 -1.480290
H 5.245116 -0.347608 -1.121068
H 5.031817 -1.148780 0.449684
H -1.194564 1.592451 0.938906
H -0.984036 2.297445 -0.689167
H 6.438801 0.642213 1.555770
H 6.649177 1.447680 -0.011303
H -2.494293 0.460222 -1.643636
H 7.836942 -0.618112 -0.917776
H 8.668136 0.024819 0.527994
H 7.630251 -1.423850 0.662406
H -3.386175 -3.086004 0.697665
H -4.834734 -2.120897 1.118929
H -5.871585 -2.695230 -1.137982
H -4.428881 -3.669999 -1.554139
H -5.502704 -4.186476 -0.217595


