%chk=000276462.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276462

0 1
Br 3.621363 -0.726004 -2.259177
S 0.233257 1.928360 -0.490940
O 0.024564 2.558609 -1.780004
O 0.503415 2.739537 0.664818
O 1.639381 -0.158674 1.122797
N 1.689464 0.989458 -0.830841
C -0.992874 0.779007 -0.191157
C -1.893328 0.443691 -1.213789
C -1.126452 0.187775 1.072351
C -3.049446 -1.068557 0.289767
C -2.914421 -0.472505 -0.979143
C -2.149007 -0.730080 1.313275
C 3.548600 -0.577512 -0.293932
C 2.220872 0.078513 0.078945
C -4.151950 -2.038812 0.547893
C 3.704537 -1.933912 0.352714
H 2.177628 1.204326 -1.718032
H -1.796137 0.910732 -2.202051
H -0.416813 0.438116 1.874772
H 4.387867 0.102919 -0.004625
H -3.610401 -0.726317 -1.776399
H -2.243725 -1.184556 2.298140
H -5.051486 -1.515915 0.911132
H -4.447031 -2.593718 -0.353730
H -3.887217 -2.785028 1.310532
H 2.948083 -2.654500 0.007795
H 4.691001 -2.373674 0.154708
H 3.581153 -1.856580 1.447581


%chk=000276462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276462

0 1
Br 4.594725 0.010905 -1.897921
S 0.252674 1.946980 -0.599978
O 0.034304 2.494658 -2.112426
O 0.468493 2.954463 0.642072
O 1.846818 -0.016015 1.305721
N 1.810205 0.914503 -0.834115
C -1.085080 0.687105 -0.197149
C -1.883964 0.246215 -1.263780
C -1.261652 0.292873 1.137909
C -3.155386 -1.095650 0.370623
C -2.925047 -0.658424 -0.961265
C -2.312720 -0.610214 1.406944
C 3.739448 -0.508738 -0.098978
C 2.378689 0.173023 0.171308
C -4.299122 -2.040879 0.686587
C 3.637556 -2.036944 -0.009992
H 2.289014 1.104906 -1.725623
H -1.707105 0.608250 -2.281597
H -0.598956 0.662846 1.924599
H 4.456227 -0.106545 0.635761
H -3.567833 -1.023683 -1.770011
H -2.476297 -0.943791 2.437679
H -5.213448 -1.473894 0.948265
H -4.547007 -2.683281 -0.175784
H -4.061653 -2.692590 1.545041
H 2.989995 -2.442870 -0.805118
H 4.635253 -2.496895 -0.096281
H 3.202766 -2.301618 0.970909


