%chk=000284656.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284656

0 1
Br -0.789679 -1.965728 -1.268197
Br -3.757744 -1.469156 -2.287512
S 0.844301 -0.801095 1.909491
O 0.613621 -2.178056 2.298036
O 1.174820 0.168642 2.933166
O -1.924160 0.902150 -2.535148
N -0.657167 -0.302878 1.145955
C -1.862551 -1.111858 1.492510
C -2.951555 -1.016632 0.409149
C -0.928389 1.092100 0.918617
C -2.397964 -0.866950 -0.995598
C -1.556410 1.488382 -0.281900
C -1.944358 0.563454 -1.376472
C 1.961215 -0.705934 0.615635
C -0.553749 2.075271 1.856544
C -1.784605 2.857829 -0.523883
C -0.794856 3.422219 1.601539
C 2.584081 0.507338 0.299270
C 2.233553 -1.849659 -0.147965
C -1.415217 3.820601 0.409740
C 3.463781 0.583722 -0.779398
C 3.110186 -1.779140 -1.228346
C 3.728347 -0.558291 -1.556632
C 4.644512 -0.475453 -2.729469
H -2.291447 -0.795382 2.470704
H -1.538783 -2.180100 1.610396
H -3.587263 -1.928163 0.493374
H -3.635176 -0.164202 0.621572
H -0.070630 1.789091 2.802951
H -2.252261 3.155340 -1.468497
H 2.385763 1.400960 0.901416
H 1.766428 -2.807655 0.113633
H -0.502644 4.171719 2.339498
H -1.602368 4.875096 0.215226
H 3.941366 1.531258 -1.023308
H 3.314134 -2.669006 -1.821725
H 4.071575 -0.299911 -3.655395
H 5.372349 0.343546 -2.645389
H 5.219144 -1.400270 -2.881490


%chk=000284656-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284656

0 1
Br -2.002103 -2.880948 -1.162749
Br -4.584871 -0.907392 -1.773318
S 0.812894 -0.970922 2.030805
O 0.590976 -2.563136 2.267209
O 1.268486 -0.033276 3.287828
O -1.610816 0.040017 -2.584611
N -0.803414 -0.433727 1.241093
C -1.986390 -1.186181 1.715729
C -3.166465 -0.965983 0.741421
C -0.923791 0.931638 0.831363
C -2.812374 -1.073501 -0.749679
C -1.471195 1.168569 -0.468327
C -1.902536 0.044112 -1.364311
C 1.998331 -0.638559 0.608305
C -0.467862 2.025304 1.609575
C -1.540402 2.491276 -0.971271
C -0.550195 3.338795 1.094430
C 2.985111 0.338794 0.800090
C 1.876475 -1.408742 -0.560301
C -1.088863 3.576391 -0.191586
C 3.896917 0.560642 -0.256825
C 2.797384 -1.162654 -1.599381
C 3.814655 -0.177540 -1.466081
C 4.780979 0.083004 -2.606150
H -2.316288 -0.866269 2.726859
H -1.704871 -2.251365 1.757426
H -3.947901 -1.707899 0.980821
H -3.608930 0.035824 0.898980
H -0.037382 1.836457 2.598113
H -1.941310 2.647896 -1.978227
H 3.038696 0.892656 1.742752
H 1.091397 -2.164638 -0.661761
H -0.194646 4.177605 1.702822
H -1.150609 4.596119 -0.584853
H 4.681085 1.316506 -0.137193
H 2.721127 -1.740732 -2.527251
H 4.273333 0.606192 -3.438810
H 5.630379 0.709285 -2.285811
H 5.185189 -0.860420 -3.015028


