%chk=000244968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244968

0 1
Br 5.156371 0.951439 -0.000424
S -3.357722 -0.828353 -0.000967
O -1.086518 -1.950125 0.001837
N -5.432942 1.125406 -0.004049
C 0.635787 -0.310147 -0.000165
C -0.777395 -0.774373 0.000145
C 0.987538 1.048035 -0.003315
C 1.643173 -1.291220 0.002825
C -1.886420 0.247797 -0.002128
C 2.332505 1.426090 -0.003405
C 2.990368 -0.922433 0.002765
C 3.318611 0.435063 -0.000345
C -4.568197 0.360068 -0.002822
H 0.220593 1.823634 -0.005755
H 1.359814 -2.350386 0.005185
H -1.857025 0.905158 -0.892096
H -1.857835 0.908249 0.885552
H 2.603542 2.483735 -0.005847
H 3.768154 -1.689039 0.005108


%chk=000244968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244968

0 1
Br 5.185238 1.083185 -0.000685
S -3.545410 -0.842545 -0.000968
O -1.022697 -2.122289 0.003244
N -5.355830 1.485922 -0.004506
C 0.640518 -0.371088 0.000002
C -0.762331 -0.884432 0.000367
C 0.951972 1.015884 -0.002916
C 1.700660 -1.319272 0.002707
C -1.903089 0.133890 -0.002432
C 2.292839 1.450892 -0.003133
C 3.043127 -0.899204 0.002525
C 3.324454 0.486464 -0.000400
C -4.590072 0.562885 -0.003082
H 0.158603 1.770939 -0.005049
H 1.447363 -2.384313 0.004942
H -1.880225 0.770026 -0.903317
H -1.881019 0.774104 0.895577
H 2.532058 2.517761 -0.005388
H 3.856244 -1.630210 0.004610


