%chk=000283318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283318

0 1
Br 7.651333 -1.573908 -1.303266
S -0.671891 0.358386 0.395456
S -1.831154 -0.123067 -2.383603
O -3.171356 0.617644 -0.392288
O 1.663085 0.229136 1.560520
C -4.926364 1.313884 1.059009
C -5.286317 2.492547 0.132797
C -3.418588 1.012514 1.013052
C -5.729612 0.064558 0.689513
C -4.822113 3.837511 0.682559
C -1.963957 0.294203 -0.808162
C 0.769519 -0.146879 -0.581243
C 3.266421 -0.464727 -0.047590
C 1.896752 -0.100576 0.415375
C 3.545159 -0.844357 -1.368868
C 4.305738 -0.418005 0.898102
C 4.849759 -1.175057 -1.745305
C 5.612739 -0.746775 0.531307
C 5.867958 -1.122024 -0.789496
H -5.166471 1.597240 2.116701
H -4.845104 2.317562 -0.871464
H -6.382526 2.515675 -0.025420
H -3.140682 0.163168 1.658976
H -2.807780 1.905238 1.230590
H -5.478372 -0.279389 -0.324961
H -6.807768 0.255638 0.713594
H -5.527640 -0.767401 1.372149
H -5.257770 4.050441 1.665100
H -3.731940 3.885061 0.783884
H -5.116427 4.655096 0.012672
H 0.929733 0.534493 -1.444963
H 0.624003 -1.157750 -1.020487
H 2.752474 -0.886917 -2.118181
H 4.078761 -0.120173 1.928372
H 5.063361 -1.470113 -2.774495
H 6.415435 -0.708579 1.270264


%chk=000283318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000283318

0 1
Br 7.682193 -1.597548 -1.678124
S -0.702654 0.395888 0.662822
S -1.532180 -0.041480 -2.350912
O -3.186460 0.653438 -0.397039
O 1.929891 0.120623 1.892987
C -5.072980 1.301311 1.014566
C -5.449292 2.494433 0.093976
C -3.565314 1.010855 1.014848
C -5.882876 0.033547 0.654248
C -4.785058 3.836175 0.472803
C -1.899608 0.342926 -0.749610
C 0.848350 -0.073358 -0.284671
C 3.374782 -0.482178 0.056067
C 2.048223 -0.125315 0.658106
C 3.544414 -0.758022 -1.327779
C 4.504953 -0.543915 0.916225
C 4.814318 -1.088155 -1.844644
C 5.778221 -0.872240 0.414761
C 5.917558 -1.140994 -0.965821
H -5.310653 1.588801 2.062662
H -5.192524 2.230696 -0.949599
H -6.550382 2.611608 0.130133
H -3.318018 0.150455 1.665648
H -2.968819 1.890835 1.318785
H -5.647738 -0.296276 -0.372883
H -6.967458 0.236263 0.712047
H -5.656193 -0.802223 1.342523
H -4.987720 4.103059 1.527871
H -3.688767 3.809058 0.332700
H -5.172028 4.655137 -0.160171
H 0.991826 0.666262 -1.092053
H 0.667244 -1.047435 -0.772584
H 2.695195 -0.719626 -2.017888
H 4.360028 -0.329234 1.979972
H 4.942889 -1.300134 -2.909479
H 6.645035 -0.918937 1.079706


