%chk=000289092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289092

0 1
Br -1.890190 -3.785371 -0.097869
S 2.444024 2.076913 -0.752432
O 2.085235 2.138829 -2.144709
O 3.341276 3.074478 -0.203791
O -3.695184 1.835128 1.216641
N 0.999807 2.362547 0.200166
N 0.094964 1.356888 0.140830
C 2.952478 0.500606 -0.320936
C 3.775502 -2.081407 0.400509
C 2.326471 -0.619701 -0.884550
C 3.992267 0.326513 0.600999
C 2.732334 -1.903949 -0.526365
C 4.405713 -0.955515 0.959875
C -2.002200 0.323088 0.648634
C 4.202214 -3.458944 0.780012
C -3.385677 0.527209 0.923642
C -1.081622 1.468136 0.700502
C -1.576299 -0.974053 0.346767
C -4.303736 -0.527483 0.891137
C -2.501749 -2.024377 0.317413
C -3.853651 -1.816433 0.583043
C -5.078126 2.159565 1.504305
H 1.513872 -0.487765 -1.609231
H 4.487077 1.201727 1.039929
H 2.239080 -2.770750 -0.963830
H 5.216151 -1.082656 1.675050
H 0.782848 3.275503 0.622709
H 3.366894 -4.031379 1.212717
H 4.555635 -4.023999 -0.096293
H 5.015147 -3.471468 1.518382
H -1.474736 2.358171 1.215876
H -0.517614 -1.156736 0.134875
H -5.357505 -0.365951 1.097924
H -4.564969 -2.644020 0.554601
H -5.707227 1.945788 0.635241
H -5.017221 3.240845 1.687761
H -5.415782 1.628023 2.398466


%chk=000289092-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289092

0 1
Br -2.821244 -3.605880 -0.917585
S 2.339854 1.811517 -0.899762
O 1.748256 1.570761 -2.394548
O 3.270155 3.095347 -0.535757
O -3.876629 1.976705 1.504684
N 0.918771 1.995305 0.409103
N -0.093497 1.103658 0.220432
C 3.150042 0.226959 -0.316385
C 4.394107 -2.131766 0.521854
C 2.804949 -0.969163 -0.965741
C 4.086745 0.308537 0.724382
C 3.439994 -2.151707 -0.531650
C 4.708255 -0.891290 1.137019
C -2.381690 0.378516 0.522212
C 5.071475 -3.415085 0.965821
C -3.706655 0.694406 0.963916
C -1.315650 1.375097 0.645099
C -2.136712 -0.906294 -0.033363
C -4.748748 -0.254707 0.842728
C -3.182553 -1.833987 -0.145254
C -4.490146 -1.526671 0.285667
C -5.214407 2.355677 1.969020
H 2.080197 -0.967106 -1.785710
H 4.330087 1.272115 1.182897
H 3.190072 -3.102622 -1.016194
H 5.446046 -0.861081 1.946462
H 0.713416 3.018579 0.478147
H 4.328172 -4.194549 1.214394
H 5.713089 -3.823337 0.162313
H 5.706084 -3.255098 1.853451
H -1.577118 2.332895 1.124713
H -1.120685 -1.138874 -0.362662
H -5.763901 -0.021462 1.174872
H -5.295736 -2.260200 0.193170
H -5.945085 2.340059 1.137818
H -5.105267 3.381993 2.348116
H -5.558542 1.690750 2.784321


