%chk=000263618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263618

0 1
Br 1.509407 -1.827576 1.722660
S 0.470315 0.863336 -0.558361
O -2.362546 3.438933 0.715284
O -0.476713 2.783576 -0.148431
O -5.103049 -2.192514 1.485074
O -5.647355 -0.125431 1.831522
N -1.598524 2.576183 0.331858
N -4.875363 -0.994932 1.467249
C 1.523045 -0.602064 -0.921880
C 2.485659 -0.905982 0.218606
C 2.233925 -0.212424 -2.226985
C 3.273420 0.256599 0.807520
C 3.442764 -1.097194 -2.576553
C 4.267483 0.877863 -0.187293
C 4.792673 -0.396150 -2.363971
C 5.170212 -0.142656 -0.897285
C -1.042685 0.201809 0.004057
C -1.985091 1.168782 0.421022
C -1.385267 -1.159859 0.054524
C -3.247614 0.795319 0.908524
C -2.627567 -1.544513 0.532912
C -3.556883 -0.563846 0.960132
H 0.885061 -1.500699 -1.116954
H 3.195367 -1.708939 -0.116313
H 2.572206 0.849716 -2.183713
H 1.500387 -0.250206 -3.058435
H 3.836046 -0.091629 1.701618
H 2.593485 1.047419 1.189669
H 3.367834 -1.401109 -3.640538
H 3.417388 -2.045128 -2.003940
H 4.896434 1.605550 0.364060
H 3.715154 1.482866 -0.937272
H 4.804750 0.562467 -2.920304
H 5.587761 -1.014212 -2.830282
H 5.184692 -1.099973 -0.340988
H 6.217615 0.221284 -0.865499
H -0.669077 -1.921106 -0.276181
H -3.969774 1.559644 1.239197
H -2.910473 -2.604805 0.588188


%chk=000263618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000263618

0 1
Br 2.039210 -1.833945 2.107738
S 0.665283 0.985755 0.215274
O -3.051151 3.383382 -0.105170
O -0.848149 3.210027 0.469823
O -5.223287 -2.400222 1.003349
O -6.038064 -0.274937 0.802501
N -2.015117 2.696554 0.242967
N -5.069190 -1.126339 0.847643
C 1.646236 -0.522484 -0.500576
C 2.809886 -0.924871 0.419450
C 2.067898 -0.112639 -1.944958
C 3.809809 0.143014 0.882655
C 3.154171 -1.010269 -2.613368
C 4.680981 0.763156 -0.250840
C 4.593128 -0.428183 -2.601003
C 5.319992 -0.257347 -1.239141
C -1.027055 0.357204 0.430935
C -2.160931 1.234325 0.402080
C -1.296123 -1.026234 0.643708
C -3.481842 0.758034 0.524173
C -2.600388 -1.517516 0.781274
C -3.687862 -0.616011 0.708383
H 0.944614 -1.368460 -0.575819
H 3.337105 -1.774713 -0.044986
H 2.407288 0.938630 -1.957840
H 1.141572 -0.133334 -2.548841
H 4.486889 -0.340571 1.610978
H 3.274429 0.942364 1.428129
H 2.870179 -1.146448 -3.674777
H 3.147619 -2.029337 -2.176479
H 5.484567 1.326607 0.260812
H 4.104218 1.517926 -0.816234
H 4.564583 0.561938 -3.101803
H 5.223646 -1.076851 -3.242400
H 5.438468 -1.242771 -0.742145
H 6.349378 0.078552 -1.471076
H -0.463277 -1.723404 0.761368
H -4.321443 1.456230 0.475541
H -2.792167 -2.578414 0.961172


