%chk=000138977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138977

0 1
 Br  -5.854800       1.797600      0.6235000    
 O  -0.1725000      -1.130000      -1.742600    
 C    2.283200     -0.4715000      0.3421000    
 C    3.803200     -0.5557000      0.1889000    
 C    1.649800      -1.866200      0.3647000    
 C    4.441600      0.8342000      0.1996000    
 C   0.1316000      -1.815500      0.5514000    
 C    5.963000      0.7479000      7.9899997E-02
 C  -0.5945000      -1.115400     -0.5887000    
 C    6.604200       2.125800      0.1235000    
 C   -1.872300     -0.4065000     -0.2931000    
 C   -2.667300     -0.8755000      0.7285000    
 C   -2.210800      0.6903000      -1.053800    
 C   -3.863700     -0.2133000       1.003900    
 C   -3.407100       1.352800     -0.7784000    
 C   -4.233600      0.9010000      0.2505000    
 H    1.872100      0.1224000     -0.4820000    
 H    2.037100      5.4800000E-02   1.272500    
 H    4.051100      -1.067600     -0.7488000    
 H    4.220800      -1.156800       1.005900    
 H    1.890800      -2.392100     -0.5672000    
 H    2.084400      -2.451600       1.183900    
 H    4.039800       1.430800     -0.6283000    
 H    4.176400       1.352000       1.129500    
 H  -0.2593000      -2.837100      0.6171000    
 H  -8.0300003E-02  -1.303500       1.496700    
 H    6.367400      0.1388000      0.8966000    
 H    6.234800      0.2528000     -0.8596000    
 H    6.379000       2.633800       1.066600    
 H    6.244300       2.752000     -0.6991000    
 H    7.691800       2.040600      3.4800000E-02
 H   -2.411600      -1.750400       1.317300    
 H   -1.574300       1.055500      -1.854000    
 H   -4.498500     -0.5805000       1.806300    
 H   -3.680200       2.220100      -1.374000    


%chk=000138977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138977

0 1
Br -6.705071 0.870618 0.361817
O -0.098171 -0.237997 -1.588918
C 2.454201 -0.271033 0.432854
C 3.954806 -0.493373 0.141265
C 1.615498 -1.557350 0.254278
C 4.809636 0.780025 0.329930
C 0.117907 -1.367266 0.568159
C 6.310694 0.558341 0.034762
C -0.650180 -0.584863 -0.503568
C 7.159226 1.833406 0.230742
C -2.098206 -0.251107 -0.254689
C -2.787079 -0.647190 0.922697
C -2.802852 0.484015 -1.246007
C -4.146838 -0.320350 1.110447
C -4.159176 0.820985 -1.074244
C -4.816422 0.412017 0.107582
H 2.062260 0.514185 -0.241426
H 2.336435 0.105036 1.471711
H 4.071708 -0.861421 -0.899390
H 4.344452 -1.296804 0.802125
H 1.722022 -1.914231 -0.788063
H 2.019890 -2.350218 0.915261
H 4.421799 1.583088 -0.331022
H 4.693704 1.151040 1.370235
H -0.381898 -2.353079 0.679283
H -0.006070 -0.856480 1.545436
H 6.695746 -0.248357 0.691910
H 6.426027 0.192444 -1.005966
H 7.085568 2.202556 1.271443
H 6.813530 2.645275 -0.436857
H 8.227320 1.648420 0.012727
H -2.272803 -1.216510 1.703035
H -2.262020 0.781401 -2.150477
H -4.674262 -0.629022 2.017200
H -4.695779 1.387799 -1.840171


