%chk=000297626.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297626

0 1
Br -3.734802 1.843626 -2.555129
O -0.910695 2.701035 0.310816
O 0.318315 0.813302 -0.036985
O -1.777423 4.269406 -1.060986
O 0.929715 0.131016 2.027244
N -2.478282 -0.466475 -0.713098
C -0.943132 1.281925 0.469848
C -2.015418 0.800380 -0.528656
C -2.453517 1.898430 -1.226775
C -2.024174 -1.653937 -0.038073
C -1.773831 3.112708 -0.783447
C 1.257593 0.327866 0.881697
C -2.128998 -2.866188 -0.750404
C -1.546476 -1.639363 1.280136
C 2.547285 0.098204 0.205423
C -1.744886 -4.055929 -0.131997
C -1.160220 -2.842795 1.878521
C 3.535192 -0.631739 0.889839
C 2.798551 0.604598 -1.079386
C -1.258054 -4.048982 1.180378
C 4.769902 -0.857550 0.280663
C 4.038412 0.373927 -1.680371
C 5.020731 -0.355525 -1.002508
H -1.087004 1.048419 1.545655
H -3.148925 -0.618006 -1.480495
H -2.496434 -2.882446 -1.774951
H -1.466018 -0.714883 1.854897
H -1.822226 -4.996711 -0.678533
H -0.779551 -2.830763 2.901855
H 3.330039 -1.012467 1.893600
H 2.023316 1.178065 -1.597553
H -0.956616 -4.981392 1.655078
H 5.540132 -1.421823 0.805338
H 4.239271 0.766555 -2.676943
H 5.988227 -0.532590 -1.474199


%chk=000297626-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297626

0 1
Br -3.939890 1.907308 -2.455901
O -0.924505 2.776619 0.327669
O 0.354041 0.808027 -0.081391
O -2.055138 4.361484 -1.004702
O 1.095532 0.472821 2.115302
N -2.417330 -0.467996 -0.705145
C -0.923334 1.318974 0.436746
C -2.034230 0.829121 -0.487136
C -2.550376 1.939683 -1.127833
C -2.045187 -1.704078 -0.101960
C -1.899271 3.175533 -0.692537
C 1.353208 0.506200 0.889734
C -2.526678 -2.880649 -0.740584
C -1.272168 -1.824002 1.081667
C 2.663133 0.220670 0.258217
C -2.238026 -4.152352 -0.209890
C -0.986754 -3.105377 1.600314
C 3.733533 -0.178863 1.102952
C 2.866515 0.341994 -1.141942
C -1.461639 -4.274958 0.965920
C 4.998077 -0.457846 0.548705
C 4.135032 0.061072 -1.689558
C 5.200303 -0.339268 -0.847864
H -1.018787 1.071399 1.506655
H -3.115739 -0.561162 -1.452901
H -3.124117 -2.796169 -1.657635
H -0.892460 -0.955804 1.621914
H -2.617819 -5.045913 -0.716495
H -0.388548 -3.181269 2.514617
H 3.554692 -0.259240 2.180179
H 2.036948 0.658532 -1.779438
H -1.234062 -5.262212 1.380092
H 5.824315 -0.764102 1.198752
H 4.295811 0.156525 -2.768454
H 6.184916 -0.554807 -1.277570


