%chk=000189879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189879

0 1
Br 6.242394 -0.048231 1.065408
S -1.984582 0.837858 -1.548262
O -5.515016 0.402494 0.717741
O -4.322947 0.816636 -1.140342
N -0.704088 0.021427 0.562571
C -3.192899 -0.133935 0.820991
C -1.922847 0.179015 0.105669
C 0.267659 0.424388 -0.393019
C -3.363935 -1.639640 1.031213
C 1.688679 0.316149 -0.032840
C -0.251126 0.880328 -1.577727
C -4.352066 0.406433 0.001255
C 2.624238 1.204043 -0.592474
C 2.121837 -0.673579 0.867501
C 3.979053 1.098482 -0.267410
C 3.474723 -0.784384 1.196390
C 4.387585 0.102595 0.621692
H -3.189365 0.376989 1.828843
H -3.366613 -2.193633 0.083360
H -2.533427 -2.039529 1.633581
H -4.299766 -1.863980 1.560595
H 0.285607 1.224218 -2.444891
H 2.296102 1.986130 -1.276872
H 1.393503 -1.353684 1.315985
H 4.700823 1.789580 -0.704495
H 3.805587 -1.554624 1.894372
H -6.291212 0.750254 0.193564


%chk=000189879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189879

0 1
Br 6.257709 0.138344 1.448445
S -1.989579 0.836957 -1.743382
O -5.163715 0.483734 1.646973
O -4.735145 1.074550 -0.556745
N -0.717423 -0.017660 0.436109
C -3.161571 -0.410261 0.660847
C -1.936431 0.107985 -0.052264
C 0.287191 0.439869 -0.446623
C -3.518499 -1.857829 0.184459
C 1.701376 0.376486 -0.020817
C -0.205794 0.921718 -1.655679
C -4.390450 0.471694 0.482225
C 2.763118 0.783730 -0.873037
C 2.021950 -0.104543 1.277523
C 4.105190 0.717149 -0.446853
C 3.359775 -0.177648 1.718171
C 4.389581 0.235361 0.848459
H -2.915651 -0.449838 1.735247
H -3.782855 -1.862686 -0.886850
H -2.645525 -2.513482 0.337918
H -4.368432 -2.252228 0.767594
H 0.343493 1.345982 -2.493256
H 2.554483 1.155978 -1.881785
H 1.205848 -0.418476 1.934528
H 4.913862 1.033368 -1.111710
H 3.592919 -0.548809 2.720094
H -5.987523 1.022355 1.492809


