%chk=000095158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095158

0 1
 Br   4.694400       1.384100      4.8599999E-02
 O    1.590800      -2.883000     -0.5451000    
 O   -4.621900       1.340200     -2.0000000E-02
 O  -0.3664000      -2.511100      0.5491000    
 O   -3.796000     -0.7769000     -4.1200001E-02
 N   -1.252100      6.1099999E-02 -2.2100000E-02
 C   0.1303000      0.3508000     -2.6000000E-03
 C    1.076500     -0.6735000      3.4200002E-02
 C   0.5444000       1.682500     -2.2800000E-02
 C   -2.256000       1.077300     -6.1900001E-02
 C    2.436900     -0.3659000      5.0799999E-02
 C    1.904900       1.990000     -6.3999998E-03
 C    2.851100      0.9658000      3.0500000E-02
 C   0.6759000      -2.074800      5.4499999E-02
 C   -3.612800      0.4335000     -4.5600001E-02
 H   -1.532000     -0.9128000     -2.3499999E-02
 H  -0.1551000       2.512200     -5.2800000E-02
 H   -2.180100       1.668400     -0.9810000    
 H   -2.189700       1.725700      0.8187000    
 H    3.187100      -1.152400      9.3000002E-02
 H    2.211600       3.032800     -2.3399999E-02
 H    1.314000      -3.824100     -0.5276000    
 H   -5.502200      0.9077000     -2.3000001E-03


%chk=000095158-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095158

0 1
Br 4.793523 1.429733 -0.009883
O 1.758028 -3.002321 -0.102804
O -4.656241 1.392111 0.000021
O -0.508045 -2.526455 -0.084878
O -3.891038 -0.807317 -0.050126
N -1.250844 0.056093 -0.029830
C 0.095332 0.355415 -0.025311
C 1.096071 -0.689909 -0.049119
C 0.554099 1.713044 0.002666
C -2.287018 1.073326 -0.008519
C 2.479425 -0.356835 -0.044235
C 1.922208 2.022780 0.006822
C 2.881572 0.981766 -0.016515
C 0.686683 -2.099596 -0.079218
C -3.658136 0.416917 -0.022527
H -1.522160 -0.942631 -0.050391
H -0.166702 2.534848 0.021466
H -2.230983 1.756208 -0.883042
H -2.230739 1.719221 0.893634
H 3.208065 -1.170259 -0.062809
H 2.243736 3.068543 0.028221
H 1.388455 -3.925104 -0.122812
H -5.551691 0.958024 -0.009712


