%chk=000221319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221319

0 1
Br -0.607626 -0.834909 -3.415515
O 0.127665 -2.993101 0.419885
O 2.101674 -2.470062 -0.561311
O -3.276781 -0.674867 -1.938806
O 1.175546 1.558803 -3.081729
O -0.505275 1.677180 -1.720118
N 0.536794 1.184637 -2.120180
C 0.190610 -0.902123 -0.652692
C 1.202460 0.108588 -1.244238
C -0.999459 -1.269388 -1.545135
C 1.966776 0.802064 -0.136499
C 0.965161 -2.170559 -0.297371
C -2.356179 -0.631856 -1.165936
C 1.349714 1.763307 0.678079
C 3.306781 0.451883 0.081282
C -2.474196 -0.051946 0.206436
C 2.077190 2.378315 1.698998
C 4.027973 1.069560 1.107098
C 3.416323 2.033724 1.914112
C -2.602450 -0.895685 1.318447
C -2.504764 1.339777 0.358873
C 0.682576 -4.263245 0.864358
C -2.760106 -0.338404 2.589575
C -2.657579 1.889400 1.635509
C -2.787410 1.052405 2.747935
H -0.201640 -0.473615 0.320596
H 1.928610 -0.442508 -1.919336
H -1.174481 -2.379978 -1.522515
H 0.304271 2.038347 0.509941
H 3.784249 -0.310337 -0.538660
H 1.600110 3.129919 2.327100
H 5.069910 0.798021 1.274809
H 3.982139 2.517397 2.709598
H -2.580753 -1.978343 1.193949
H -2.403503 1.988637 -0.517779
H -0.191640 -4.767804 1.289941
H 1.453694 -4.072798 1.617561
H 1.097935 -4.809137 0.010651
H -2.865515 -0.987382 3.457813
H -2.683872 2.971671 1.758860
H -2.913433 1.483010 3.741111


%chk=000221319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221319

0 1
Br -0.478628 -1.809918 -3.033222
O 0.342639 -2.709556 0.936340
O 2.167915 -2.350763 -0.469205
O -2.408855 0.487557 -2.339392
O 0.799889 2.169670 -2.522078
O -0.362608 2.043038 -0.564232
N 0.487829 1.594416 -1.425409
C 0.286228 -0.713206 -0.381372
C 1.249349 0.293063 -1.059135
C -0.980229 -1.151656 -1.192150
C 2.428887 0.696279 -0.174489
C 1.071269 -1.978752 -0.008239
C -2.114591 -0.094693 -1.265592
C 2.219990 1.302580 1.090237
C 3.748726 0.468739 -0.631882
C -2.873304 0.164384 0.007000
C 3.324191 1.669810 1.889557
C 4.851220 0.834889 0.169763
C 4.641956 1.435827 1.432555
C -2.756138 -0.637826 1.176482
C -3.768114 1.269808 0.010467
C 0.950197 -3.999535 1.356942
C -3.524885 -0.336513 2.321404
C -4.529597 1.569110 1.155456
C -4.410884 0.765583 2.315472
H -0.094045 -0.266530 0.556188
H 1.604140 -0.103637 -2.022305
H -1.380806 -2.056086 -0.706183
H 1.202488 1.517036 1.437666
H 3.909612 -0.011117 -1.603145
H 3.157120 2.144878 2.862380
H 5.869530 0.651269 -0.189210
H 5.497995 1.723676 2.052851
H -2.081522 -1.500940 1.210179
H -3.841233 1.877622 -0.896792
H 0.241005 -4.420892 2.082333
H 1.934193 -3.817080 1.819022
H 1.072208 -4.661972 0.484132
H -3.434976 -0.962022 3.216061
H -5.211891 2.425744 1.149315
H -5.004771 0.996315 3.206926


