%chk=000229552.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229552

0 1
Br 5.862116 0.849147 -1.099935
S 0.004454 -0.720093 0.959172
O -0.870834 0.236375 -0.159075
O -0.305833 -2.091482 0.659628
O -0.260633 -0.165954 2.254408
C 1.579185 -0.301092 0.408438
C 2.245604 0.792266 0.973769
C 2.185220 -1.053112 -0.604553
C -2.248321 0.197386 -0.219436
C 3.524548 1.139348 0.528323
C 3.463941 -0.715034 -1.057796
C 4.116364 0.379907 -0.484695
C -2.977377 -0.986444 -0.057003
C -2.860526 1.423975 -0.524193
C -4.366649 -0.925965 -0.197143
C -4.248062 1.451718 -0.664793
C -5.002117 0.283134 -0.498550
H 1.771876 1.377803 1.772089
H 1.664613 -1.913756 -1.043317
H 4.045639 1.991694 0.969221
H 3.937828 -1.301372 -1.847801
H -2.483528 -1.937238 0.159263
H -2.253162 2.316646 -0.647007
H -4.956414 -1.834373 -0.071901
H -4.746983 2.391066 -0.902101
H -6.083947 0.316649 -0.604412


%chk=000229552-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229552

0 1
Br 6.073383 0.489543 -1.235975
S 0.002534 -0.443306 1.141604
O -0.956798 0.207494 -0.514124
O -0.262834 -2.036562 1.329697
O -0.265176 0.594764 2.364416
C 1.726651 -0.176576 0.462469
C 2.333445 1.072498 0.670231
C 2.338643 -1.238309 -0.222864
C -2.342735 0.192201 -0.444957
C 3.637561 1.267984 0.163611
C 3.642945 -1.037532 -0.727050
C 4.270163 0.212980 -0.530870
C -3.058105 -0.959634 -0.880516
C -3.038634 1.346192 0.015669
C -4.466649 -0.936754 -0.887949
C -4.447329 1.355142 0.002713
C -5.162804 0.217227 -0.447889
H 1.815931 1.862296 1.223099
H 1.824699 -2.196463 -0.345892
H 4.146223 2.224792 0.307190
H 4.155710 -1.840540 -1.262949
H -2.495214 -1.839089 -1.208816
H -2.461088 2.208180 0.364200
H -5.024732 -1.814960 -1.229863
H -4.990481 2.241823 0.346781
H -6.258306 0.227810 -0.451366


