%chk=000191005.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191005

0 1
Br 5.307063 0.149444 1.889944
O 1.118674 -1.369463 1.277128
O 1.157517 2.660578 0.201306
O 3.816282 -0.743478 -1.652661
O -5.508088 0.750108 -0.292332
O -5.319886 -1.352359 -0.761583
N 3.037961 0.473310 0.128770
N -4.862040 -0.280748 -0.399263
C 1.629015 0.393101 -0.333852
C 0.759162 -0.034501 0.888059
C -0.712842 -0.109860 0.541991
C 1.183013 1.746970 -0.915897
C -1.506260 1.042677 0.668524
C -1.280082 -1.318199 0.113516
C 4.047299 -0.123534 -0.632522
C -2.863992 0.990816 0.363029
C -2.639325 -1.381883 -0.193010
C -3.421423 -0.223478 -0.070243
C 5.432634 0.003882 -0.041618
H 1.547292 -0.399057 -1.135292
H 0.934315 0.647167 1.755750
H 0.165809 1.691744 -1.347623
H 1.889337 2.112647 -1.682124
H 3.218636 1.217972 0.808142
H -1.052107 1.980079 1.004749
H -0.649485 -2.211530 0.042724
H 2.080118 -1.420429 1.482498
H -3.499383 1.877790 0.458085
H -3.099150 -2.319340 -0.524927
H 1.114270 3.583117 -0.119788
H 5.970625 0.884201 -0.441709
H 6.042139 -0.889143 -0.296768


%chk=000191005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191005

0 1
Br 5.850499 1.271360 1.326426
O 1.165729 -1.377314 1.304855
O 1.387939 2.769541 0.366670
O 3.726703 -1.149723 -1.405103
O -5.626502 0.720982 -0.299623
O -5.341102 -1.426424 -1.013097
N 3.019495 0.484832 0.113082
N -4.896905 -0.326061 -0.503546
C 1.599882 0.467993 -0.290409
C 0.727928 -0.035363 0.915885
C -0.747436 -0.123968 0.563626
C 1.197389 1.862424 -0.785589
C -1.598140 0.989473 0.786037
C -1.279813 -1.311198 0.000072
C 3.974888 -0.286647 -0.507026
C -2.960978 0.933128 0.437941
C -2.640915 -1.385773 -0.352997
C -3.461895 -0.257628 -0.132999
C 5.441250 -0.120980 -0.100563
H 1.506828 -0.262402 -1.115362
H 0.866624 0.680753 1.751792
H 0.142090 1.864160 -1.118669
H 1.850158 2.153186 -1.632376
H 3.310200 1.236066 0.750180
H -1.185768 1.898782 1.238545
H -0.621408 -2.174642 -0.127714
H 2.152042 -1.364622 1.407562
H -3.636995 1.775889 0.603226
H -3.076223 -2.290438 -0.785480
H 1.337659 3.711171 0.071039
H 6.031033 0.175194 -0.980869
H 5.822845 -1.073151 0.297485


