%chk=000148374.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148374

0 1
 Br  0.5688000       3.985500     -0.4143000    
 S   0.2736000      -2.172400     -0.2550000    
 S   -4.733100      0.4505000      0.4115000    
 S    4.193800     -0.3709000       2.097900    
 O   0.4967000      -1.350700      -1.485700    
 O   -5.498200      0.4957000     -0.8196000    
 O   -5.331400      0.8695000       1.664300    
 N   -4.057700      -1.106800      0.6028000    
 N   -2.755900      -2.925900     -0.1352000    
 N    3.635600      -1.324400     -0.2391000    
 N    5.351500      0.3209000     -0.1683000    
 N    5.757600       2.482700      -1.172600    
 N    3.677300       1.925500     -0.4217000    
 C  -0.5410000      -3.713400     -0.7818000    
 C    1.846200      -2.951500      0.1794000    
 C   -1.966900      -3.463300      -1.239000    
 C   -3.274200       1.422500      0.1849000    
 C    2.817100      -1.937200      0.6796000    
 C   -2.784800       1.617900      -1.094900    
 C   -2.648200       1.970300       1.291300    
 C   -3.259600      -1.769700     -0.3666000    
 C    2.963700      -1.560900       1.989700    
 C   -1.633500       2.384900      -1.274000    
 C   -1.497100       2.737500       1.112100    
 C  -0.9897000       2.944700     -0.1705000    
 C    4.408700     -0.4736000      0.3986000    
 C    4.980700       1.512700     -0.5738000    
 H   4.3900002E-02  -4.155500      -1.594600    
 H  -0.5324000      -4.401500      7.0200004E-02
 H    2.248300      -3.455700     -0.7057000    
 H    1.659100      -3.709100      0.9477000    
 H   -2.414100      -4.414400      -1.550200    
 H   -1.966500      -2.816500      -2.126100    
 H   -4.146200      -1.546500       1.527500    
 H   -3.270300       1.190800      -1.966800    
 H   -3.022500       1.813900       2.298200    
 H   -3.143900      -1.213400      -1.309700    
 H    2.431900      -1.908100       2.864300    
 H   -1.250700       2.536400      -2.280000    
 H   -1.006300       3.165200       1.982600    
 H    6.743500       2.326000      -1.352200    
 H    5.368600       3.377600      -1.448600    
 H    3.388900       2.846400     -0.7353000    
 H    2.953400       1.352700     -3.1000001E-03


%chk=000148374-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148374

0 1
Br 0.661160 3.919520 2.636259
S 0.231414 -2.373022 0.303146
S -3.900248 0.840287 -1.023139
S 4.841264 -0.565677 1.968145
O 0.078707 -1.468141 -1.118424
O -3.396438 0.801283 -2.562779
O -5.339021 1.440687 -0.578851
N -3.912789 -0.903387 -0.478711
N -2.811665 -2.981906 -0.481945
N 3.087399 -0.806759 -0.039748
N 4.228946 1.344710 0.029658
N 3.848790 3.151803 -1.371633
N 2.507285 1.212912 -1.651115
C -0.637579 -4.086702 -0.130652
C 2.095723 -3.054743 0.221578
C -1.769286 -3.815400 -1.123697
C -2.571149 1.673880 0.046479
C 3.035017 -2.001720 0.684705
C -1.241705 1.227582 -0.038319
C -3.000870 2.736725 0.857489
C -2.994163 -1.803545 -1.010761
C 3.877846 -2.073020 1.785536
C -0.279093 1.905277 0.747219
C -2.029830 3.408254 1.634691
C -0.684545 2.984117 1.563936
C 3.958236 0.088225 0.466327
C 3.517705 1.867049 -0.996583
H 0.138790 -4.747268 -0.553152
H -1.005090 -4.458080 0.839511
H 2.193171 -3.286113 -0.852313
H 2.113694 -3.961732 0.845482
H -2.208932 -4.791945 -1.408043
H -1.336329 -3.348839 -2.036748
H -4.494843 -1.130832 0.334439
H -0.918909 0.366022 -0.647008
H -4.055146 3.030800 0.879189
H -2.453384 -1.409489 -1.889000
H 4.008902 -2.895948 2.485076
H 0.764446 1.580713 0.713939
H -2.320025 4.243385 2.277684
H 4.584299 3.610147 -0.839286
H 3.387566 3.641799 -2.132533
H 1.962886 1.645558 -2.395263
H 2.322492 0.231933 -1.342583


