%chk=000125230.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125230

0 1
 Br   4.157500     -4.5699999E-02  -2.478500    
 O   -3.412000      2.2299999E-02  4.0700000E-02
 O  -0.1531000       2.706300      0.3919000    
 O    5.072000     -0.7119000      0.4297000    
 C   -1.249100      0.6242000      0.1908000    
 C   -1.304400     -0.7901000      7.9200000E-02
 C   -2.551400       1.066700      0.1627000    
 C   -2.655300      -1.109900     -1.0500000E-02
 C   -3.167300       2.400300      0.2376000    
 C  -9.3599997E-02   1.465400      0.3113000    
 C  -0.3634000      -1.834100      4.3699998E-02
 C    1.284400      0.8853000      0.3328000    
 C   -3.144400      -2.409100     -0.1338000    
 C   -3.350000       3.053400      -1.139800    
 C  -0.8252000      -3.151700     -7.9499997E-02
 C   -2.191400      -3.431400     -0.1663000    
 C    1.948200      0.7231000     -0.8603000    
 C    1.830800      0.5382000       1.545800    
 C    3.233700      0.1821000     -0.8392000    
 C    3.116200     -2.7000001E-03   1.567000    
 C    3.817800     -0.1807000      0.3746000    
 H   -2.582300       3.066200      0.8804000    
 H   -4.152700       2.319400      0.7135000    
 H   0.7052000      -1.676300      0.1066000    
 H   -4.205400      -2.618100     -0.2007000    
 H   -2.385400       3.190900      -1.639500    
 H   -3.824900       4.033600      -1.033000    
 H   -3.980500       2.433800      -1.786400    
 H  -0.1083000      -3.968600     -0.1080000    
 H   -2.520200      -4.463400     -0.2613000    
 H    1.480800       1.010300      -1.798300    
 H    1.287900      0.6752000       2.475900    
 H    3.564800     -0.2834000       2.516200    
 H    5.418500     -0.7692000     -0.4775000    


%chk=000125230-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125230

0 1
Br 5.286063 1.562909 -1.606121
O -3.415187 0.114393 0.492280
O -0.137123 2.390594 -1.068739
O 5.304432 -0.393934 0.896523
C -1.207697 0.486647 -0.085420
C -1.420098 -0.965333 -0.010334
C -2.436532 1.090403 0.205083
C -2.787726 -1.145979 0.341862
C -2.899387 2.509650 0.257885
C -0.009739 1.269466 -0.466833
C -0.639643 -2.123907 -0.259117
C 1.362562 0.771063 -0.122937
C -3.415405 -2.387892 0.494137
C -3.533696 2.972610 -1.084514
C -1.246086 -3.390847 -0.118307
C -2.611267 -3.526572 0.259394
C 2.455354 1.278408 -0.876843
C 1.623643 -0.103894 0.966818
C 3.760050 0.892373 -0.555273
C 2.939074 -0.471066 1.295858
C 4.028848 0.014220 0.532251
H -2.031525 3.154956 0.476344
H -3.635076 2.614203 1.077050
H 0.409398 -2.045156 -0.558440
H -4.470588 -2.465226 0.769873
H -2.780188 2.928314 -1.888282
H -3.886478 4.015191 -0.992466
H -4.394106 2.337802 -1.359868
H -0.652888 -4.291890 -0.307847
H -3.048540 -4.525211 0.361612
H 2.246382 1.977920 -1.691599
H 0.795887 -0.479085 1.575515
H 3.158363 -1.130222 2.140442
H 5.986421 0.015492 0.297813


