%chk=000297216.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297216

0 1
Br -3.938691 0.039382 -0.540085
C 0.267814 -0.813406 -0.180789
C 0.614199 0.720654 0.053130
C -1.214426 -0.901175 -0.656496
C 1.117931 -1.457774 -1.311365
C 0.426060 -1.609497 1.142816
C 1.967472 0.854687 0.815697
C 0.743062 1.510205 -1.285330
C -0.469981 1.372969 0.889276
C -2.184794 -0.342044 0.374928
C -1.717159 0.911921 1.026730
C 2.569022 -1.782268 -0.973395
C -0.013566 -3.069894 1.067077
C 2.397857 2.284789 1.134049
C -0.559999 1.984978 -1.918064
H -1.480101 -1.947798 -0.897710
H -1.306469 -0.342816 -1.619545
H 1.098838 -0.787414 -2.199787
H 0.619645 -2.393773 -1.638198
H -0.141701 -1.100603 1.947271
H 1.486015 -1.575429 1.467513
H 2.763039 0.364804 0.208018
H 1.917620 0.283274 1.763493
H 1.300653 0.886701 -2.016919
H 1.385864 2.401338 -1.110934
H -0.164863 2.296983 1.386033
H -2.458277 -1.106843 1.138332
H -2.454392 1.431154 1.640896
H 3.119192 -0.886526 -0.641333
H 2.647161 -2.530092 -0.175893
H 3.092831 -2.182280 -1.848968
H -1.081137 -3.168469 0.840926
H 0.536520 -3.621641 0.295961
H 0.164255 -3.578645 2.021715
H 2.406341 2.913984 0.231869
H 1.725973 2.762308 1.857229
H 3.406660 2.304287 1.560693
H -1.246286 1.146753 -2.125176
H -1.104670 2.679560 -1.267164
H -0.372510 2.499757 -2.866103


%chk=000297216-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297216

0 1
Br -4.157613 -0.172927 -0.250481
C 0.216793 -0.793188 -0.156878
C 0.577117 0.753295 0.114936
C -1.304322 -0.893966 -0.546482
C 0.984808 -1.415857 -1.375577
C 0.465345 -1.648729 1.136770
C 1.874871 0.872155 1.017708
C 0.837679 1.599691 -1.192119
C -0.552857 1.426803 0.894500
C -2.235400 -0.380606 0.551705
C -1.803264 0.937072 1.111017
C 2.514357 -1.624975 -1.280563
C -0.001155 -3.121914 1.082796
C 2.489148 2.279851 1.205993
C -0.298624 1.780359 -2.226149
H -1.558198 -1.940180 -0.792931
H -1.483420 -0.303298 -1.457354
H 0.767996 -0.810578 -2.275806
H 0.524328 -2.404807 -1.573178
H -0.028717 -1.150884 1.994898
H 1.545110 -1.648363 1.370591
H 2.658074 0.210699 0.605875
H 1.630871 0.476285 2.020865
H 1.738547 1.197821 -1.697459
H 1.113419 2.615669 -0.851847
H -0.299758 2.396922 1.346876
H -2.447516 -1.125165 1.337481
H -2.516671 1.485553 1.737601
H 3.072929 -0.672530 -1.263124
H 2.802275 -2.204885 -0.384709
H 2.865501 -2.191381 -2.163510
H -1.094776 -3.217598 0.954828
H 0.483332 -3.681261 0.261877
H 0.261554 -3.632644 2.027856
H 2.959932 2.662862 0.283937
H 1.746849 3.027128 1.542316
H 3.277397 2.235199 1.980548
H -0.488993 0.873990 -2.827490
H -1.247050 2.072441 -1.739511
H -0.024896 2.584043 -2.935407


