%chk=000127220.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127220

0 1
 Br  -8.360300      -2.853400     -0.9855000    
 S   -4.160700       2.092300      0.3607000    
 P    6.961200       1.226300     -0.3524000    
 O    3.329300     -0.6206000       1.070900    
 O    1.175600      -2.717700     -0.9000000    
 O    3.180500      -3.641700      0.6849000    
 O    5.907400      0.2417000      0.3835000    
 O    7.966400      0.1950000      -1.088100    
 O    6.110400       1.853300      -1.576400    
 O    7.626500       2.227600      0.5459000    
 O   -7.119200       2.020600      0.1418000    
 O   -8.755300      5.0299998E-02 -0.3698000    
 N    1.263700      0.2367000      0.2779000    
 N   0.8782000       2.343000     -0.3412000    
 N   -1.532100       2.293700     -2.7899999E-02
 N   -2.381600      0.1455000      0.7568000    
 N  -0.9504000      -1.723900       1.171800    
 C    2.269300      -1.859600     -0.6467000    
 C    3.523800      -2.603100     -0.2326000    
 C    2.027100     -0.9752000      0.5669000    
 C    4.308000      -1.527700      0.5129000    
 C    5.236000     -0.7332000     -0.3952000    
 C  -8.6000003E-02  0.4144000      0.3882000    
 C    1.797800       1.418900     -0.1622000    
 C  -0.3005000       1.729600     -1.6000000E-03
 C   -1.140300     -0.3903000      0.7731000    
 C   -2.499300       1.436000      0.3630000    
 C   -5.140100      0.6051000      1.3700000E-02
 C   -6.614200      0.9200000     -3.7599999E-02
 C   -7.563100     -0.2231000     -0.3345000    
 C   -6.958200      -1.580800     -0.5603000    
 H    2.460100      -1.256000      -1.542200    
 H    4.055500      -3.059800      -1.072100    
 H    1.545700      -1.490000       1.398400    
 H    4.874100      -1.935800       1.357800    
 H    4.668100     -0.2224000      -1.178900    
 H    5.969000      -1.399400     -0.8606000    
 H    1.443400      -3.329800      -1.606400    
 H    4.009400      -4.066100      0.9654000    
 H    2.856100       1.553000     -0.3411000    
 H   -1.772700      -2.249900       1.439900    
 H  -0.1074000      -2.234600      0.9697000    
 H    8.763300      0.5484000      -1.537800    
 H    6.523600       2.544500      -2.136600    
 H   -4.824900      0.2003000     -0.9517000    
 H   -4.974900     -0.1258000      0.8101000    
 H   -6.283300      -1.573100      -1.417600    
 H   -6.467000      -1.946000      0.3431000    


%chk=000127220-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127220

0 1
Br -9.996955 -1.596016 -0.259554
S -3.789223 1.988554 0.067828
P 6.664038 1.702483 -0.312529
O 3.794819 -1.117058 1.084629
O 1.540545 -3.468164 -0.458926
O 3.917575 -4.083671 0.197664
O 6.382629 0.024336 -0.148324
O 6.759571 2.013191 -2.015576
O 5.069124 2.245672 -0.028655
O 7.873935 2.230071 0.550567
O -6.789787 1.954675 -0.076961
O -6.846208 -1.602503 -0.102761
N 1.683451 -0.158534 0.493022
N 1.349168 2.111074 0.370852
N -1.113139 2.061103 0.182309
N -2.093231 -0.181654 0.197246
N -0.877843 -2.178249 0.280618
C 2.466930 -2.352031 -0.548563
C 3.941767 -2.845002 -0.592643
C 2.411839 -1.425862 0.717878
C 4.734769 -1.717961 0.102199
C 5.295231 -0.672440 -0.876082
C 0.287386 0.029645 0.358230
C 2.252143 1.125414 0.504696
C 0.108115 1.455397 0.289252
C -0.870975 -0.803796 0.277981
C -2.142237 1.182248 0.163154
C -4.853566 0.442510 0.030215
C -6.317777 0.787341 -0.051062
C -7.288212 -0.430614 -0.105878
C -8.758757 -0.034406 -0.160777
H 2.207884 -1.778338 -1.453450
H 4.288109 -3.049220 -1.623435
H 1.937363 -1.965547 1.558925
H 5.579546 -2.114219 0.693217
H 4.519782 0.041100 -1.207980
H 5.755155 -1.161654 -1.755562
H 2.049130 -4.217389 -0.032661
H 4.782881 -4.557100 0.166186
H 3.320935 1.281495 0.628294
H -1.798849 -2.611735 0.211511
H -0.038907 -2.748935 0.092207
H 7.678904 2.179433 -2.347693
H 4.859208 3.193926 -0.217759
H -4.559789 -0.193729 -0.823393
H -4.653290 -0.170594 0.927045
H -9.032373 0.545622 0.736241
H -8.952814 0.598333 -1.042342


