%chk=000153067.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153067

0 1
 Br  0.7089000       3.757800      1.6100001E-02
 S    4.380300     -0.2471000      5.9900001E-02
 O  -0.4269000      -2.719700      1.8700000E-02
 O   -1.791900       2.443500     -1.2000001E-03
 O    4.684900     -0.8699000      -1.418600    
 O    5.125300      0.9966000      0.1631000    
 O    4.549200      -1.303000       1.043000    
 N    2.105600      -2.187600      3.9500002E-02
 N   -4.290600       1.918500     -2.7200000E-02
 C   0.3356000     -0.4734000      2.1700000E-02
 C  -2.5200000E-02  0.8756000      1.6200000E-02
 C   -2.484800      0.2178000     -5.2999998E-03
 C   -2.124000      -1.131200      7.9999998E-04
 C    1.688200     -0.8344000      3.3599999E-02
 C  -0.7007000      -1.526100      1.4800000E-02
 C   -1.448600       1.270600      2.4999999E-03
 C    2.673400      0.1534000      4.0199999E-02
 C   0.9667000       1.863700      2.3000000E-02
 C    2.313400       1.499600      3.4899998E-02
 C   -3.837400      0.5788000     -1.9400001E-02
 C   -3.116000      -2.119200     -7.3000002E-03
 C   -4.822700     -0.4090000     -2.7600000E-02
 C   -4.462600      -1.755100     -2.1500001E-02
 H    3.078300       2.271800      3.7400000E-02
 H   -2.864300      -3.176300     -3.0000000E-03
 H   -5.877900     -0.1466000     -3.8800001E-02
 H   -5.231400      -2.522400     -2.7799999E-02
 H    3.084100      -2.435800      1.5900001E-02
 H    1.423600      -2.932700      3.4800000E-02
 H   -3.636200       2.687500     -2.0199999E-02
 H   -5.283000       2.114900     -3.5900000E-02
 H    4.532100     -0.2569000      -2.175800    


%chk=000153067-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153067

0 1
Br 0.709773 3.839842 0.009940
S 4.476337 -0.192004 -0.007224
O -0.458783 -2.780515 0.075418
O -1.869650 2.545104 -0.078782
O 4.597146 -0.325494 -1.853592
O 5.320474 1.093419 0.483814
O 4.801553 -1.661441 0.615577
N 2.043990 -2.207925 0.118278
N -4.382752 1.902770 -0.073363
C 0.286800 -0.476629 0.035939
C -0.076867 0.918431 0.003646
C -2.557493 0.252859 -0.009217
C -2.187682 -1.126940 0.030811
C 1.682914 -0.897383 0.062132
C -0.756918 -1.524612 0.047675
C -1.536378 1.302383 -0.030375
C 2.646216 0.164020 0.044566
C 0.953012 1.900324 0.014259
C 2.311558 1.513367 0.021940
C -3.965602 0.595545 -0.030406
C -3.159377 -2.145791 0.052461
C -4.933972 -0.462123 -0.005285
C -4.534353 -1.802644 0.035308
H 3.105155 2.267303 0.020675
H -2.825620 -3.185830 0.082067
H -5.999114 -0.202448 -0.019546
H -5.292939 -2.592171 0.053399
H 3.032517 -2.463070 0.233333
H 1.263595 -2.888970 0.118373
H -3.646899 2.626877 -0.093279
H -5.375515 2.127771 -0.086215
H 5.554274 -0.510325 -2.085826


