%chk=000242564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242564

0 1
Br 7.068413 -0.424441 -0.030689
O -5.526606 2.609016 -0.028914
O -4.973097 -2.204736 1.014793
N -3.090630 -0.166273 -0.441317
C 0.576912 -0.688034 -0.394571
C 1.759094 -1.579198 -0.708934
C 1.028830 0.563393 0.124217
C 2.941572 -0.723929 -0.317543
C 2.491389 0.545608 0.174105
C -1.713976 0.037051 -0.191586
C -0.766370 -0.964532 -0.549911
C 0.103596 1.537769 0.476519
C -1.260514 1.276272 0.322146
C -4.093233 0.673944 0.269022
C -3.581076 -1.529781 -0.759853
C 4.289693 -1.024584 -0.384165
C 3.405178 1.500984 0.593515
C 5.193722 -0.037539 0.048352
C 4.779112 1.200605 0.528066
C -4.608273 1.746278 -0.709968
C -3.667473 -2.464263 0.458069
H 1.727343 -2.525862 -0.136998
H 1.789781 -1.857219 -1.780246
H -1.086183 -1.919417 -0.952931
H 0.433187 2.498627 0.870068
H -1.972572 2.050475 0.593933
H -3.673018 1.146594 1.182561
H -4.947343 0.048146 0.633628
H -2.933511 -1.978448 -1.546824
H -4.601897 -1.432704 -1.208757
H 4.641082 -1.985232 -0.756274
H 3.075782 2.467537 0.967181
H 5.505704 1.945172 0.855316
H -5.226927 1.308984 -1.516243
H -3.790401 2.337978 -1.155687
H -2.895808 -2.248298 1.217790
H -3.615228 -3.526755 0.161620
H -5.061155 3.162808 0.626722
H -5.101200 -2.718898 1.834888


%chk=000242564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242564

0 1
Br 7.178109 -0.403081 -0.125653
O -5.603394 2.682186 -0.255984
O -4.877678 -2.273504 1.195169
N -3.143124 -0.224209 -0.189252
C 0.572273 -0.698291 -0.310560
C 1.759438 -1.606480 -0.624136
C 1.040578 0.566082 0.156638
C 2.958983 -0.724926 -0.288077
C 2.510668 0.553939 0.170487
C -1.764263 0.022454 -0.077992
C -0.794792 -0.979528 -0.423887
C 0.098255 1.557865 0.506856
C -1.278080 1.291387 0.387233
C -4.148537 0.735402 0.306368
C -3.651196 -1.495434 -0.726174
C 4.328200 -1.023984 -0.380348
C 3.451985 1.541223 0.540123
C 5.249304 -0.017879 -0.005113
C 4.834687 1.252445 0.451009
C -4.522675 1.811749 -0.743630
C -3.753913 -2.627606 0.310977
H 1.747011 -2.532273 -0.015953
H 1.768458 -1.923666 -1.685442
H -1.109942 -1.968452 -0.769246
H 0.423846 2.541502 0.864696
H -1.985229 2.083354 0.647944
H -3.784850 1.220183 1.234358
H -5.055740 0.174926 0.586039
H -3.025082 -1.831497 -1.573515
H -4.665988 -1.326401 -1.130053
H 4.679225 -1.999519 -0.730348
H 3.130098 2.526679 0.893829
H 5.577810 2.004234 0.731782
H -4.938873 1.333612 -1.645755
H -3.630818 2.400389 -1.042874
H -2.807124 -2.713655 0.881366
H -3.953583 -3.588143 -0.212511
H -5.273552 3.213984 0.511674
H -4.916596 -2.897970 1.961055


