%chk=000299187.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299187

0 1
Br 7.667455 0.008383 1.192857
S 1.695583 -0.004700 -1.140315
O 0.892938 0.000841 0.359606
O 1.404202 1.244879 -1.792091
O 1.405830 -1.259825 -1.782114
C -3.260335 -0.005204 0.631346
C -2.570005 1.223279 0.548176
C -2.565761 -1.231954 0.559318
C -1.166818 1.236054 0.426604
C -1.162509 -1.240811 0.438008
C -0.499546 -0.001495 0.372745
C -4.759144 -0.006077 0.802156
C -3.340036 2.507555 0.567902
C -3.330909 -2.518925 0.590455
C -0.369737 2.494755 0.345595
C -0.360932 -2.497355 0.368541
C -5.536878 0.000594 -0.492392
C -7.025114 0.049595 -0.302423
C 3.305779 -0.001179 -0.516003
C -4.978175 -0.035153 -1.703209
C 3.954463 -1.213563 -0.259727
C 3.952513 1.214032 -0.268348
C 5.257027 -1.217376 0.249527
C 5.255069 1.223548 0.240866
C 5.888844 0.004482 0.494686
H -5.072713 -0.886811 1.406707
H -5.070203 0.867620 1.417994
H -3.959853 2.593732 1.470580
H -2.687292 3.393485 0.537081
H -4.009039 2.567795 -0.304885
H -2.674800 -3.402610 0.567372
H -3.950134 -2.599565 1.494075
H -3.999860 -2.589683 -0.281591
H 0.473570 2.475094 1.049436
H 0.054015 2.620566 -0.669637
H -0.966500 3.391894 0.563123
H 0.062448 -2.631393 -0.645780
H 0.482826 -2.467831 1.071500
H -0.954266 -3.394484 0.595275
H -7.566984 0.025428 -1.257201
H -7.383664 -0.801567 0.290435
H -7.332431 0.966788 0.216443
H -3.910310 -0.069443 -1.866765
H -5.540171 -0.031773 -2.622478
H 3.449314 -2.165729 -0.463269
H 3.445850 2.163920 -0.478645
H 5.764539 -2.162870 0.449520
H 5.761055 2.171255 0.434144


%chk=000299187-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299187

0 1
Br 7.592085 -1.781260 0.852115
S 1.852325 0.834767 -1.102354
O 0.798190 0.786350 0.785595
O 2.165683 2.361787 -1.602099
O 1.122272 -0.240242 -2.100880
C -3.319046 0.077911 0.657407
C -2.833993 1.425667 0.573592
C -2.417783 -1.034410 0.707943
C -1.442050 1.675047 0.573529
C -1.020820 -0.807132 0.720258
C -0.536164 0.553457 0.677924
C -4.818268 -0.171242 0.695596
C -3.821609 2.578572 0.470866
C -2.964466 -2.454587 0.737131
C -0.865656 3.072531 0.473520
C -0.019452 -1.940516 0.801308
C -5.514287 -0.354086 -0.661883
C -7.016460 -0.559814 -0.570939
C 3.489033 0.088775 -0.546928
C -4.852611 -0.339739 -1.848642
C 3.642674 -1.305748 -0.613895
C 4.493350 0.957195 -0.088619
C 4.873048 -1.863352 -0.200127
C 5.722118 0.396402 0.328108
C 5.890617 -1.004506 0.270715
H -5.035552 -1.070556 1.305762
H -5.324330 0.663459 1.219928
H -4.305670 2.788025 1.445493
H -3.328458 3.506849 0.145673
H -4.622150 2.353787 -0.255784
H -2.203499 -3.186873 0.426660
H -3.302517 -2.742021 1.752827
H -3.825060 -2.564403 0.055070
H 0.224523 3.051632 0.616862
H -1.059929 3.515608 -0.522130
H -1.309276 3.749776 1.226121
H 0.039282 -2.483897 -0.161873
H 0.981793 -1.545070 1.029671
H -0.293628 -2.672320 1.581888
H -7.469490 -0.698026 -1.567081
H -7.260672 -1.448235 0.044792
H -7.508871 0.306507 -0.086078
H -3.768866 -0.191454 -1.907940
H -5.386380 -0.477159 -2.796187
H 2.836472 -1.935807 -1.002994
H 4.331690 2.039415 -0.075800
H 5.032432 -2.943870 -0.246556
H 6.528624 1.041004 0.687634


