%chk=000243950.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243950

0 1
Br -9.179249 2.014205 0.480773
S -2.538786 0.436010 -0.324030
O 4.506440 1.534147 -0.995130
O 5.372394 -1.542056 -0.564207
O 4.549853 0.526018 2.176397
O 7.794939 1.848784 0.565517
N 2.416177 0.535702 -0.873556
N 0.451013 1.723553 -0.695040
N 1.485996 -1.776517 -0.685813
N -0.987151 -1.743692 -0.412597
N 0.244525 -3.764470 -0.369702
C 4.432400 -0.658297 0.039178
C 3.858739 0.258888 -1.081310
C 5.238942 0.292622 0.960871
C 5.416380 1.591975 0.146092
C 6.821400 1.716589 -0.468585
C 1.398616 -0.411510 -0.727168
C 1.768389 1.826574 -0.854610
C 0.170732 0.347355 -0.611234
C -1.016075 -0.397879 -0.455526
C 0.257394 -2.387876 -0.510441
C -3.757017 -0.905905 -0.126940
C -5.060279 -0.196817 0.018935
C -5.828712 0.109804 -1.116631
C -5.527142 0.168316 1.292814
C -7.053659 0.768554 -0.983417
C -6.751100 0.827159 1.434122
C -7.501343 1.117866 0.292540
H 3.659218 -1.228902 0.598975
H 4.041756 -0.118452 -2.116048
H 6.209786 -0.153458 1.292871
H 5.114649 2.495101 0.714047
H 6.875780 2.564727 -1.173246
H 7.125150 0.785526 -0.991755
H 4.937986 -2.402689 -0.769989
H 3.656022 0.907616 2.023910
H 2.351455 2.733239 -0.967780
H 7.712650 2.715686 1.014930
H -3.502696 -1.536837 0.749663
H -3.727312 -1.589151 -1.000078
H -0.639290 -4.251132 -0.404908
H 1.072261 -4.290672 -0.604453
H -5.469510 -0.161262 -2.109837
H -4.932598 -0.057198 2.178691
H -7.645910 1.005120 -1.868723
H -7.108513 1.109140 2.425730


%chk=000243950-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243950

0 1
Br -9.606002 1.500135 0.530812
S -2.517067 0.736393 -0.204312
O 4.698581 1.426311 -1.162902
O 5.544822 -1.508965 -0.347282
O 4.233366 1.003857 2.025914
O 8.046314 1.547950 0.578043
N 2.490864 0.598109 -0.785275
N 0.599316 1.887131 -0.568651
N 1.472892 -1.654642 -0.701143
N -0.975786 -1.538008 -0.425172
N 0.138953 -3.586873 -0.595194
C 4.493352 -0.612667 0.135937
C 3.902497 0.214029 -1.046678
C 5.161367 0.469997 1.023410
C 5.636290 1.532050 0.011074
C 7.075231 1.314419 -0.499184
C 1.424437 -0.295767 -0.674873
C 1.931876 1.898278 -0.731789
C 0.259397 0.520739 -0.532862
C -0.968448 -0.181004 -0.400600
C 0.223253 -2.213438 -0.574171
C -3.752241 -0.732114 -0.125186
C -5.150454 -0.189539 0.031403
C -5.927767 0.151295 -1.105370
C -5.717891 -0.011234 1.319028
C -7.241863 0.650748 -0.968950
C -7.030539 0.486331 1.476780
C -7.777538 0.810440 0.325767
H 3.709831 -1.161347 0.686427
H 3.949731 -0.339843 -2.001644
H 6.001211 0.057263 1.599448
H 5.517178 2.549593 0.429542
H 7.255269 1.972345 -1.372730
H 7.215899 0.264428 -0.796732
H 5.127356 -2.314314 -0.744149
H 3.424300 1.369904 1.582090
H 2.552455 2.782537 -0.844958
H 8.056615 2.510919 0.811004
H -3.435013 -1.357797 0.722194
H -3.611853 -1.300511 -1.056826
H -0.771901 -4.026278 -0.499718
H 0.984518 -4.139199 -0.702966
H -5.504182 0.029197 -2.108877
H -5.130959 -0.261218 2.210300
H -7.833484 0.908649 -1.851805
H -7.459483 0.617213 2.474131


