%chk=000232089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232089

0 1
Br -3.373400 3.770624 0.602515
S 2.402567 -0.310600 1.415483
O 3.801112 -0.531279 1.745056
O 1.374269 -0.745051 2.327710
O 3.632936 -4.315987 -1.104375
O 1.983784 -4.036485 0.377968
N 2.224662 -1.111281 -0.105405
C -1.265130 -0.903465 -1.524987
C 1.105339 -0.858865 -0.977763
C -0.209770 -1.273359 -0.658975
C -2.680289 -1.276596 -1.160835
C -1.001137 -0.191378 -2.711937
C 1.362077 -0.148614 -2.163804
C 0.318404 0.170856 -3.025137
C 3.232890 -2.075630 -0.548923
C -0.475621 -2.073922 0.566552
C -3.286852 -0.341290 -0.147417
C 2.136876 1.345863 1.013042
C -2.092478 0.191241 -3.661211
C -3.068079 1.044061 -0.224270
C -4.102760 -0.855976 0.874273
C 0.836054 1.859118 0.970654
C 3.230152 2.177684 0.746898
C 2.817406 -3.519819 -0.320293
C -3.670108 1.877439 0.716597
C -4.693327 0.000476 1.806182
C 0.627260 3.204427 0.652138
C 3.022649 3.522378 0.429475
C -4.483209 1.382571 1.735719
C 1.720188 4.033803 0.380910
H -2.690739 -2.325058 -0.776516
H -3.336176 -1.307734 -2.058189
H 2.379448 0.157715 -2.404985
H 0.528261 0.713324 -3.945551
H 4.200877 -1.904650 0.005158
H 3.469450 -1.942391 -1.634781
H -0.531325 -1.438564 1.470502
H -1.406300 -2.652296 0.517634
H 0.333176 -2.800798 0.779320
H -1.738238 0.846143 -4.468624
H -2.528524 -0.696797 -4.142087
H -2.908087 0.727742 -3.154631
H -2.429011 1.453026 -1.008565
H -4.273933 -1.929109 0.947522
H -0.022855 1.214673 1.191173
H 4.249645 1.778906 0.796591
H -5.321557 -0.408397 2.598046
H -0.387477 3.603702 0.619014
H 3.872385 4.171496 0.224209
H -4.944985 2.047808 2.464408
H 1.557632 5.083688 0.133097
H 3.449968 -5.284770 -0.992288


%chk=000232089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232089

0 1
Br -3.239235 3.683451 1.132929
S 2.251104 -0.265477 1.636333
O 3.783225 -0.542523 2.142524
O 0.980115 -0.440975 2.627959
O 4.425831 -3.882490 -1.271166
O 2.279590 -4.301287 -0.474252
N 1.975078 -1.530183 0.121755
C -1.384508 -0.961459 -1.474573
C 0.983249 -1.081616 -0.806401
C -0.387266 -1.421285 -0.559299
C -2.852168 -1.265503 -1.190250
C -1.022015 -0.211218 -2.634364
C 1.334164 -0.320876 -1.955325
C 0.345780 0.090738 -2.861150
C 3.275782 -2.009414 -0.345031
C -0.755948 -2.270885 0.638263
C -3.480642 -0.384418 -0.102927
C 2.177982 1.499911 0.947132
C -2.057625 0.272170 -3.637638
C -3.121637 0.983790 0.015395
C -4.461610 -0.910260 0.774618
C 0.939826 2.162724 0.956535
C 3.374232 2.071611 0.483053
C 3.210619 -3.501665 -0.673713
C -3.750074 1.782495 0.988467
C -5.078285 -0.090694 1.745144
C 0.903303 3.483943 0.453055
C 3.316038 3.394343 -0.013895
C -4.729697 1.274983 1.863860
C 2.084535 4.092371 -0.033557
H -2.973082 -2.322588 -0.890425
H -3.445005 -1.143421 -2.115559
H 2.380435 -0.047159 -2.133623
H 0.627014 0.670414 -3.747646
H 4.011973 -1.882505 0.478905
H 3.693971 -1.488437 -1.230598
H -1.252759 -1.671723 1.423051
H -1.446963 -3.084346 0.350693
H 0.148147 -2.713298 1.079102
H -1.587832 0.906799 -4.407871
H -2.547134 -0.572624 -4.159497
H -2.859884 0.864875 -3.159619
H -2.352310 1.406282 -0.638180
H -4.738874 -1.968541 0.701765
H 0.047820 1.677445 1.365933
H 4.317173 1.517877 0.541986
H -5.830145 -0.510681 2.421833
H -0.046198 4.029310 0.450364
H 4.230155 3.878199 -0.373627
H -5.199856 1.913747 2.616429
H 2.048323 5.117556 -0.417713
H 4.403389 -4.858882 -1.462890


