%chk=000191017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191017

0 1
Br 1.202070 -4.783582 -0.986760
O 2.088351 2.420429 -0.095429
O 3.109198 -0.938419 -0.731031
O 5.476842 -0.031118 -0.182027
O 5.430359 0.591038 2.377200
O -4.852938 1.473621 1.071879
O -1.688049 4.661931 0.243722
N -0.467434 0.242624 -0.628354
N -2.988925 -0.585130 0.415127
N -1.038245 2.481408 -0.182793
N -3.265936 3.049499 0.643794
C 1.889251 1.013093 -0.225745
C 0.797043 0.695454 -1.271791
C 3.263370 0.489098 -0.706062
C 4.437896 0.883163 0.216639
C -0.736199 -1.134635 -0.445357
C -1.382211 1.199297 -0.165732
C -2.013848 -1.522258 0.057835
C 4.161023 0.708918 1.720096
C -2.691142 0.681549 0.317244
C 0.222167 -2.136474 -0.742118
C -2.322424 -2.899399 0.214029
C -1.392009 -3.877375 -0.101641
C -0.113271 -3.464690 -0.573885
C -3.725770 1.709997 0.715424
C -1.951191 3.485854 0.225189
C -1.719251 -5.321118 0.056908
H 1.624122 0.596277 0.772942
H 0.592714 1.610365 -1.887797
H 1.145992 -0.089536 -1.987037
H 3.487003 0.823399 -1.747030
H 4.791934 1.912597 -0.019713
H 3.569697 1.540888 2.138143
H 3.671480 -0.259785 1.946051
H 1.234957 -1.848183 -1.076388
H 1.215563 2.901146 -0.030747
H 4.016377 -1.361133 -0.698411
H -3.316312 -3.163241 0.593440
H 6.039239 -0.263313 0.610130
H -3.935782 3.786445 0.917226
H -2.742221 -5.490803 0.421026
H -1.626772 -5.865314 -0.897662
H -1.040503 -5.814683 0.772283
H 5.847286 1.474801 2.479682


%chk=000191017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191017

0 1
Br 1.065147 -5.000084 -0.856076
O 1.894619 2.370513 0.136731
O 3.332630 -0.881756 -0.811141
O 5.644749 0.329104 -0.315238
O 5.623766 0.949222 2.346836
O -4.863461 1.564273 0.910050
O -1.382435 4.617393 0.390003
N -0.450458 0.124176 -0.574160
N -3.053093 -0.592308 0.310179
N -0.863452 2.376633 -0.056513
N -3.090322 3.049517 0.602495
C 1.916769 0.946234 -0.147546
C 0.833393 0.551329 -1.188377
C 3.303045 0.585529 -0.701327
C 4.467155 1.067496 0.188618
C -0.773317 -1.235597 -0.427642
C -1.319972 1.116905 -0.114060
C -2.109754 -1.566171 0.004665
C 4.305598 0.767129 1.690386
C -2.669257 0.683507 0.260818
C 0.158980 -2.276066 -0.673794
C -2.484351 -2.932925 0.129543
C -1.591686 -3.984147 -0.135368
C -0.264514 -3.605675 -0.525523
C -3.656623 1.758954 0.619210
C -1.740208 3.414645 0.310810
C -2.020993 -5.427235 0.003879
H 1.747390 0.341107 0.771887
H 0.623001 1.432018 -1.820452
H 1.195098 -0.269898 -1.822724
H 3.437296 1.039620 -1.706174
H 4.604758 2.156399 0.042145
H 3.533766 1.416850 2.141293
H 4.058537 -0.294205 1.857137
H 1.203448 -2.060109 -0.920033
H 0.917084 2.653375 0.113105
H 4.302440 -1.114725 -0.860472
H -3.510525 -3.137023 0.449401
H 6.311693 0.337928 0.425710
H -3.715109 3.826210 0.846454
H -3.078763 -5.494210 0.305095
H -1.895040 -5.976371 -0.947165
H -1.410860 -5.956603 0.758556
H 5.767335 1.911742 2.531279


