%chk=000241862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241862

0 1
Br -5.203913 0.215384 0.498329
S -0.311155 -1.386484 -0.136670
O -0.392958 -2.182543 -1.326482
O -0.818890 -1.916116 1.100379
O -0.570543 2.423747 -0.500220
N -1.096382 0.156987 -0.416221
C 1.248946 -0.645767 0.050200
C 1.164314 0.757939 -0.093439
C -0.231426 1.274021 -0.356951
C -2.559322 0.302303 -0.590183
C 2.461341 -1.255815 0.297812
C 2.290679 1.555199 0.009989
C -3.263547 0.122046 0.754539
C 3.616166 -0.449529 0.406129
C 3.531366 0.931784 0.264138
H -2.782097 1.312526 -1.018952
H -2.909684 -0.448347 -1.338710
H 2.544793 -2.339150 0.410286
H 2.219834 2.639894 -0.102449
H -3.034548 -0.855622 1.227504
H -2.986741 0.911977 1.475735
H 4.579965 -0.922142 0.602556
H 4.429305 1.547909 0.348582


%chk=000241862-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241862

0 1
Br -5.325166 0.387387 0.369367
S -0.315509 -1.526206 -0.127413
O -0.454226 -2.377685 -1.497864
O -0.821355 -2.201402 1.258109
O -0.571766 2.457740 -0.380637
N -1.127600 0.178352 -0.342708
C 1.343131 -0.643426 0.045904
C 1.166334 0.747564 -0.050204
C -0.233313 1.246514 -0.269417
C -2.573573 0.271970 -0.581814
C 2.574037 -1.273358 0.244083
C 2.300207 1.578332 0.059235
C -3.345023 0.238315 0.750760
C 3.705741 -0.423915 0.351589
C 3.567207 0.983198 0.260186
H -2.755842 1.223413 -1.113338
H -2.889001 -0.557247 -1.241004
H 2.669975 -2.360691 0.313012
H 2.170576 2.662758 -0.015309
H -3.211412 -0.710722 1.290243
H -3.097385 1.097676 1.390406
H 4.694819 -0.866380 0.506724
H 4.454646 1.618014 0.345990


