%chk=000228416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228416

0 1
Br -3.971848 2.476249 -0.037939
O -1.163154 1.126495 -1.142491
O 0.106740 2.010032 0.545134
C -0.328626 0.024250 -0.704007
C 0.544412 0.626916 0.437470
C -1.130850 2.173396 -0.169558
C -1.162190 -1.151661 -0.263102
C 2.017548 0.601209 0.127000
C -2.278189 2.057482 0.832095
C -0.528284 -2.265279 0.309168
C 2.679847 -0.636812 0.117567
C -2.548854 -1.157420 -0.454757
C 2.725951 1.778163 -0.138899
C -1.285234 -3.370728 0.702343
C 4.046709 -0.690999 -0.159384
C -3.302385 -2.266114 -0.057989
C 4.095865 1.717846 -0.414422
C -2.673377 -3.371482 0.522424
C 4.756518 0.486262 -0.425440
H 0.257352 -0.224979 -1.620581
H 0.332413 0.172374 1.432124
H -1.077963 3.130225 -0.723767
H -2.136126 2.757134 1.675976
H -2.353586 1.036603 1.250713
H 0.556662 -2.271404 0.442369
H 2.125125 -1.555583 0.324073
H -3.031946 -0.293346 -0.921702
H 2.200509 2.735907 -0.125417
H -0.794581 -4.234561 1.147929
H 4.562082 -1.650050 -0.168319
H -4.381777 -2.266675 -0.205287
H 4.646780 2.634430 -0.620713
H -3.261466 -4.234044 0.830952
H 5.822721 0.441165 -0.640466


%chk=000228416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228416

0 1
Br -3.186190 3.361404 0.023230
O -0.808481 1.064810 -0.841659
O 0.113351 1.075553 1.340981
C -0.241839 -0.284401 -0.581589
C 0.781498 -0.023019 0.562322
C -0.686675 1.862550 0.391707
C -1.319686 -1.322665 -0.264336
C 2.175852 0.385599 0.118070
C -2.018056 2.113814 1.100367
C -0.952183 -2.605441 0.216688
C 3.297242 -0.047504 0.867735
C -2.684437 -1.052167 -0.527168
C 2.384446 1.221669 -1.011577
C -1.934827 -3.591988 0.453616
C 4.604883 0.341776 0.500964
C -3.668088 -2.038323 -0.287612
C 3.689779 1.611382 -1.378608
C -3.298425 -3.310133 0.206393
C 4.804270 1.173926 -0.624077
H 0.280541 -0.563029 -1.514812
H 0.831187 -0.862541 1.274260
H -0.175363 2.804343 0.114993
H -1.848955 2.621082 2.061609
H -2.585561 1.182991 1.234043
H 0.102994 -2.846108 0.398768
H 3.145498 -0.688104 1.745676
H -2.962020 -0.071968 -0.929414
H 1.525237 1.565497 -1.600070
H -1.637160 -4.578052 0.827633
H 5.463266 -0.001496 1.088931
H -4.720922 -1.813835 -0.492114
H 3.839770 2.256063 -2.251797
H -4.061219 -4.074696 0.390836
H 5.817069 1.478009 -0.910894


