%chk=000218875.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218875

0 1
Br 7.785150 0.046800 1.609334
S -5.491436 -1.122154 1.828384
O 2.230398 -0.590239 -0.496048
N -4.464142 0.112217 -0.316178
N 4.268973 0.586730 -0.522907
C -5.521054 1.039938 0.217466
C -3.074665 0.560065 0.030114
C -5.887057 0.646427 1.664777
C -4.755462 -1.256545 0.128922
C -2.094016 -0.031101 -0.997256
C -0.669010 0.474977 -0.747707
C -6.740946 0.982501 -0.707686
C 0.316325 -0.113671 -1.764853
C 1.744893 0.355773 -1.525902
C 3.492105 -0.425742 -0.033206
C 3.919511 -1.349931 0.954711
C 5.208227 -1.208135 1.447680
C 5.528295 0.703652 -0.022691
C 6.020997 -0.171680 0.954882
H -5.117542 2.086127 0.204757
H -2.775226 0.275938 1.062551
H -3.034941 1.670252 -0.017288
H -6.955258 0.806967 1.887850
H -5.306498 1.218578 2.407261
H -3.866167 -1.911947 0.165133
H -5.508126 -1.714248 -0.545655
H -2.118938 -1.137248 -0.956564
H -2.427736 0.234402 -2.020697
H -0.341127 0.205240 0.277190
H -0.644906 1.581001 -0.793898
H -7.265504 0.021279 -0.644539
H -7.460555 1.770557 -0.465573
H -6.439380 1.110731 -1.756185
H 0.287278 -1.224755 -1.716366
H 0.010658 0.151479 -2.796678
H 2.395050 0.247621 -2.410522
H 1.827019 1.377894 -1.120901
H 3.244830 -2.130600 1.296390
H 5.586675 -1.893950 2.209951
H 6.134010 1.524399 -0.431352


%chk=000218875-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218875

0 1
Br 7.824814 0.214350 1.758754
S -5.424454 -1.354744 1.681450
O 2.180669 -0.564037 -0.402910
N -4.512657 0.192551 -0.435089
N 4.314648 0.452379 -0.572740
C -5.490686 1.059705 0.288426
C -3.085588 0.474268 -0.094227
C -5.593255 0.531614 1.766336
C -4.905921 -1.182354 -0.236041
C -2.111614 -0.014051 -1.185219
C -0.642954 0.328293 -0.849654
C -6.869274 1.067437 -0.401981
C 0.342138 -0.166646 -1.931598
C 1.802315 0.180002 -1.639481
C 3.463839 -0.381803 0.079307
C 3.818255 -1.098752 1.255628
C 5.116107 -0.929781 1.766237
C 5.574683 0.612542 -0.071566
C 6.004749 -0.058722 1.088334
H -5.087033 2.089545 0.288531
H -2.811471 0.017764 0.886362
H -2.981146 1.570894 0.010044
H -6.566890 0.782666 2.216523
H -4.777988 0.927725 2.394178
H -4.089294 -1.890768 -0.430047
H -5.805406 -1.447384 -0.807988
H -2.207727 -1.111013 -1.315009
H -2.403663 0.444980 -2.149991
H -0.362891 -0.119570 0.123293
H -0.536298 1.427702 -0.735055
H -7.389157 0.100120 -0.280997
H -7.511595 1.848783 0.042918
H -6.756151 1.279306 -1.479209
H 0.248711 -1.263582 -2.052036
H 0.080780 0.286207 -2.910016
H 2.480103 -0.130506 -2.455617
H 1.950698 1.261350 -1.460725
H 3.090292 -1.757136 1.735473
H 5.432271 -1.460554 2.668598
H 6.238741 1.290818 -0.616494


