%chk=000211696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211696

0 1
Br -5.197915 0.283394 -0.312270
S 3.304020 -1.147612 -0.511951
S 0.839799 -2.677105 -1.241119
O 1.266082 1.841001 0.849757
N 0.914424 -0.217400 -0.158951
C 3.219989 0.529204 0.210015
C -0.537574 -0.104060 -0.168601
C 1.741051 0.851602 0.358322
C -1.266387 -0.174582 1.039593
C 1.544459 -1.357741 -0.649222
C 3.915939 1.519889 -0.694815
C -1.180399 0.078692 -1.402904
C -2.664871 -0.053715 0.976918
C -0.587061 -0.354194 2.353264
C -2.570851 0.192842 -1.448531
C -3.292578 0.125099 -0.254580
H 3.696011 0.511854 1.224120
H 3.816244 2.548236 -0.308824
H 4.992434 1.310930 -0.777590
H 3.510343 1.522115 -1.717638
H -0.599956 0.124775 -2.326027
H -3.251017 -0.102122 1.896721
H -0.003495 0.545570 2.614785
H -1.292658 -0.527295 3.177430
H 0.104560 -1.209778 2.342431
H -3.076695 0.330801 -2.405133


%chk=000211696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211696

0 1
Br -5.251935 0.377374 -0.332086
S 3.373392 -1.217479 -0.305746
S 0.822909 -2.877675 -0.816080
O 1.241598 2.034041 0.548394
N 0.917586 -0.207090 -0.118336
C 3.216710 0.618946 0.176109
C -0.532453 -0.088813 -0.152538
C 1.714286 0.917054 0.234349
C -1.275784 -0.243783 1.045952
C 1.563022 -1.425049 -0.416975
C 3.949257 1.555315 -0.803456
C -1.154221 0.198752 -1.383053
C -2.683172 -0.101260 0.967728
C -0.595125 -0.549708 2.364005
C -2.555821 0.339490 -1.453344
C -3.300001 0.186309 -0.266310
H 3.628856 0.723090 1.194696
H 3.776869 2.603270 -0.500024
H 5.034434 1.358686 -0.792324
H 3.580522 1.420405 -1.834276
H -0.545969 0.306326 -2.286339
H -3.288226 -0.215821 1.871945
H 0.032909 0.300136 2.690599
H -1.335562 -0.745841 3.156416
H 0.058664 -1.436941 2.279115
H -3.048846 0.560667 -2.403219


