%chk=000245700.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245700

0 1
Br 5.097185 -1.433464 -0.902614
S -0.054308 1.571071 1.510607
O -3.986696 -1.419423 -0.658936
N -1.885280 0.430026 -0.094251
C -2.871115 0.036445 0.966130
C -2.539099 0.391934 -1.446689
C -3.387769 -1.376019 0.652930
C -3.062879 -1.032138 -1.694522
C -1.289571 1.757971 0.172218
C 1.315387 0.743538 0.777541
C 1.158503 -0.447868 0.066969
C 2.579991 1.297812 1.000085
C 2.288540 -1.098451 -0.440980
C 3.713035 0.644625 0.503600
C 3.549674 -0.543410 -0.213333
H -3.725413 0.742487 1.043944
H -2.351690 0.034093 1.950777
H -1.779897 0.651115 -2.214891
H -3.373394 1.119523 -1.542647
H -2.581746 -2.129001 0.705645
H -4.228516 -1.667150 1.306860
H -3.685026 -1.094488 -2.604717
H -2.241342 -1.768714 -1.739276
H -1.996013 2.535488 0.537104
H -0.791911 2.152387 -0.738818
H 0.161412 -0.872833 -0.095385
H 2.693103 2.231519 1.554085
H 2.177597 -2.027983 -1.000165
H 4.704838 1.064508 0.674630


%chk=000245700-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245700

0 1
Br 5.177039 -1.462828 -0.975120
S -0.053982 1.702160 1.556129
O -4.082268 -1.476998 -0.614587
N -1.979258 0.443725 -0.108210
C -2.925293 0.051372 0.966191
C -2.600240 0.329580 -1.456448
C -3.441992 -1.372229 0.708906
C -3.118523 -1.104797 -1.660917
C -1.314216 1.723842 0.121640
C 1.366724 0.811966 0.797000
C 1.189713 -0.298835 -0.063226
C 2.671809 1.243334 1.137677
C 2.315885 -0.964302 -0.599229
C 3.802116 0.567487 0.623636
C 3.608621 -0.526341 -0.245011
H -3.790178 0.757768 1.019746
H -2.388818 0.087824 1.932765
H -1.839716 0.563130 -2.226106
H -3.450284 1.043907 -1.579206
H -2.598106 -2.092511 0.773622
H -4.221638 -1.649199 1.436838
H -3.665594 -1.195048 -2.613751
H -2.261882 -1.813887 -1.653362
H -2.001306 2.545336 0.428115
H -0.768735 2.026809 -0.787310
H 0.174352 -0.636670 -0.298483
H 2.811756 2.109201 1.793112
H 2.181909 -1.820254 -1.267266
H 4.809707 0.900056 0.888755


