%chk=000257462.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257462

0 1
Br -0.397269 -0.839984 -1.733508
S 3.251122 0.145639 -0.779210
O -5.449383 -0.984403 -0.161578
O -3.287531 -1.474090 -2.020437
O -4.902452 0.403537 2.126420
O 3.570255 1.529070 -1.046219
O 2.628944 -0.690457 -1.782205
O 0.183205 1.695997 1.487055
N 2.249397 0.146139 0.677897
N 0.900787 -0.188930 0.361154
C -1.515593 0.212170 0.643499
C -4.173246 -0.517132 0.096677
C -3.152689 -0.820489 -0.833462
C -3.834726 0.156096 1.300551
C 4.661041 -0.650234 -0.166889
C -1.815482 -0.457547 -0.543184
C -2.511955 0.526750 1.571884
C -0.110029 0.656735 0.926908
C 5.733661 0.107940 0.313400
C 4.728625 -2.046683 -0.165753
C 6.874324 -0.532689 0.805791
C 5.869116 -2.688638 0.326675
C 6.939566 -1.930633 0.813791
C -6.490736 0.032298 -0.135501
C -4.613702 -1.889609 -2.448051
C -4.650214 1.139210 3.352832
H -2.243410 1.067701 2.478177
H 2.291855 1.042702 1.225088
H 0.776030 -1.215366 0.491510
H 5.686927 1.202974 0.294654
H 3.896331 -2.639727 -0.559018
H 7.710891 0.055958 1.179597
H 5.924057 -3.776218 0.327895
H 7.829280 -2.430923 1.198565
H -6.611587 0.413002 0.886446
H -6.257105 0.836135 -0.836098
H -7.369214 -0.541183 -0.449866
H -4.377963 -2.421838 -3.377986
H -5.064364 -2.551496 -1.699230
H -5.239666 -1.011810 -2.626677
H -4.260767 2.136447 3.126959
H -5.657869 1.194458 3.785220
H -3.976459 0.572722 4.002428


%chk=000257462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257462

0 1
Br -0.616639 -2.947229 -0.293824
S 3.037715 0.617199 0.960177
O -5.408224 -0.808009 -0.413512
O -3.372587 -2.621696 -1.156527
O -4.826513 1.245002 1.436786
O 3.638089 1.967629 1.674016
O 1.866128 0.678447 -0.196482
O -0.096462 0.613357 2.896556
N 2.124869 -0.891868 2.354202
N 0.903944 -1.137035 1.795835
C -1.509846 -0.548879 1.298888
C -4.126215 -0.626882 0.106625
C -3.132161 -1.579836 -0.268423
C -3.796515 0.367831 1.077858
C 4.504119 -0.287281 0.182338
C -1.841719 -1.539451 0.336197
C -2.515396 0.397486 1.642058
C -0.222901 -0.308030 2.031086
C 5.777879 -0.069492 0.732522
C 4.260754 -1.125992 -0.917954
C 6.872134 -0.744335 0.142560
C 5.367930 -1.790829 -1.494555
C 6.665703 -1.604366 -0.961968
C -6.117210 0.357784 -0.995849
C -4.156107 -2.388825 -2.388418
C -4.541685 2.226014 2.494824
H -2.229260 1.144341 2.387134
H 1.950594 -0.189869 3.122386
H 0.867399 -1.876816 1.083916
H 5.908342 0.620156 1.572631
H 3.249077 -1.226266 -1.324914
H 7.880016 -0.595007 0.543839
H 5.215824 -2.446390 -2.358472
H 7.518280 -2.123023 -1.413783
H -6.293751 1.127003 -0.229774
H -5.530301 0.779606 -1.834006
H -7.067337 -0.053854 -1.367556
H -3.874780 -3.223121 -3.049293
H -5.234212 -2.404409 -2.170370
H -3.874967 -1.426838 -2.856644
H -3.737672 2.920754 2.188467
H -5.483155 2.777298 2.630823
H -4.261179 1.719323 3.436802


