%chk=000112888.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000112888

0 1
Br -3.889414 0.942525 -2.847152
Br -4.581541 -0.035778 2.754570
Br 1.039140 5.020052 -0.723728
Br 5.322312 1.338632 0.345880
S 0.391590 -2.407801 -1.733939
O -1.255194 -2.766527 -1.710367
O 0.980651 -3.491716 -2.475531
O 0.483262 -1.055459 -2.216552
O -5.351603 0.580205 -0.070937
O 3.884063 3.936270 -0.392592
C 0.221328 -0.093878 0.410196
C 0.634932 -1.460779 0.838376
C -1.238045 0.086299 0.258685
C 0.744892 -2.534287 -0.055225
C 1.121518 0.905378 0.226604
C 0.922683 -1.654609 2.200534
C 1.143604 -3.794306 0.420049
C -2.079917 -0.044854 1.377145
C -1.780155 0.377296 -1.004859
C 0.706133 2.276153 -0.112732
C 2.570209 0.675117 0.357469
C 1.311030 -2.913012 2.664069
C 1.426102 -3.986063 1.772318
C -3.155248 0.549017 -1.145021
C -3.454128 0.129404 1.241450
C 1.598209 3.260300 -0.303539
C 3.463840 1.657099 0.166247
C -4.005334 0.426925 -0.025416
C 3.080146 3.060800 -0.202634
H 0.844731 -0.818279 2.896887
H 1.242123 -4.636989 -0.278336
H -1.652279 -0.281239 2.355826
H -1.109674 0.447962 -1.879101
H -0.372909 2.459928 -0.194456
H 2.889208 -0.342109 0.613441
H 1.528488 -3.059083 3.724812
H 1.734301 -4.967981 2.133060
H -1.637274 -3.109092 -2.531874
H -5.693683 0.787682 -0.990928


%chk=000112888-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112888

0 1
Br -3.730412 1.869987 -2.778540
Br -4.772750 -1.258738 1.996718
Br 1.045815 5.237787 -0.161611
Br 5.419819 1.364636 -0.088375
S -0.031283 -2.697228 -1.586329
O -1.845588 -2.845455 -1.214720
O 0.439810 -4.099485 -2.244655
O 0.257877 -1.310451 -2.361625
O -5.374122 0.401570 -0.512361
O 3.962124 4.120491 -0.295422
C 0.257114 -0.067332 0.380330
C 0.726498 -1.396552 0.885313
C -1.192024 0.077560 0.135443
C 0.571660 -2.630853 0.207086
C 1.177902 0.987906 0.225307
C 1.330672 -1.477042 2.173520
C 0.952313 -3.876649 0.728877
C -2.133855 -0.547664 1.002246
C -1.677001 0.801256 -0.993037
C 0.744382 2.374523 0.098519
C 2.612866 0.730332 0.191541
C 1.719028 -2.712652 2.733598
C 1.527189 -3.916170 2.018971
C -3.054026 0.906953 -1.205384
C -3.510195 -0.418338 0.780436
C 1.653110 3.392961 -0.060794
C 3.516448 1.749737 0.011921
C -4.008928 0.314188 -0.330620
C 3.126990 3.181179 -0.135517
H 1.468867 -0.548602 2.737502
H 0.832244 -4.782294 0.125803
H -1.784559 -1.125029 1.862577
H -0.971504 1.205602 -1.722115
H -0.319915 2.605100 0.192663
H 2.965802 -0.302260 0.259139
H 2.173288 -2.733170 3.729348
H 1.829174 -4.875393 2.450064
H -2.290005 -3.176561 -2.049313
H -5.586728 0.939355 -1.323808


