%chk=000230021.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230021

0 1
Br 6.750960 0.466179 -0.506239
O 0.380743 1.351494 2.049023
O -5.717929 -0.293780 -0.329046
N 0.310397 2.911279 0.414958
C 0.685332 -0.756471 0.119586
C -0.117716 0.539987 -0.197212
C 0.205231 -1.940775 -0.741596
C 2.163603 -0.467774 -0.057996
C -1.610155 0.315551 -0.183943
C 0.210324 1.598222 0.864955
C 0.919792 -3.237951 -0.374821
C 2.930296 -0.118707 1.066546
C 2.778224 -0.521993 -1.317742
C -2.340803 0.401266 -1.383773
C -2.276319 0.013889 1.012426
C 4.293139 0.158957 0.940492
C 4.141868 -0.246464 -1.456859
C -3.714257 0.191114 -1.392790
C -3.656199 -0.201388 1.030003
C -4.362189 -0.110352 -0.176131
C 4.883258 0.089072 -0.323313
C -6.496397 -0.605877 0.851671
H 0.494422 -1.017980 1.196455
H 0.201326 0.897861 -1.208389
H -0.888769 -2.072399 -0.604759
H 0.345352 -1.720326 -1.817020
H 2.005074 -3.158886 -0.517485
H 0.566822 -4.071796 -0.991912
H 0.751051 -3.511469 0.673390
H 2.450727 -0.044100 2.047937
H 2.194779 -0.789368 -2.198442
H -1.829756 0.630407 -2.318772
H -1.708562 -0.044768 1.947215
H 4.879709 0.427935 1.819855
H 4.612049 -0.296011 -2.439091
H -4.297530 0.252373 -2.308665
H -4.154587 -0.430997 1.965978
H 0.490520 3.652851 1.075188
H 0.113496 3.191156 -0.527258
H -6.168583 -1.555889 1.283127
H -7.508869 -0.691559 0.435378
H -6.437772 0.213686 1.573571


%chk=000230021-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230021

0 1
Br 6.857471 0.546173 -0.455567
O 0.277924 1.428007 2.054383
O -5.854689 -0.332669 -0.323943
N 0.498093 2.893152 0.274523
C 0.684899 -0.754325 0.116776
C -0.143594 0.546005 -0.213911
C 0.223507 -1.964908 -0.737775
C 2.181349 -0.460091 -0.025423
C -1.659165 0.325131 -0.198383
C 0.232892 1.646316 0.804959
C 0.948583 -3.276838 -0.369098
C 2.991856 -0.261133 1.120176
C 2.791114 -0.345942 -1.302440
C -2.403776 0.372907 -1.406436
C -2.353092 0.051512 1.005926
C 4.369885 0.034575 1.007172
C 4.165469 -0.050098 -1.439807
C -3.793235 0.152008 -1.418400
C -3.747523 -0.173855 1.012724
C -4.471046 -0.125013 -0.205277
C 4.939958 0.136323 -0.276850
C -6.601990 -0.627840 0.900829
H 0.480143 -0.984168 1.180991
H 0.147449 0.878069 -1.230982
H -0.865312 -2.095617 -0.598556
H 0.370131 -1.748746 -1.816128
H 2.036966 -3.203219 -0.543870
H 0.563424 -4.121315 -0.969286
H 0.795978 -3.524197 0.698495
H 2.535939 -0.319960 2.114618
H 2.198162 -0.502606 -2.211555
H -1.889103 0.580108 -2.353109
H -1.797386 0.037255 1.950407
H 4.980657 0.184801 1.901993
H 4.622779 0.028676 -2.430465
H -4.371407 0.187401 -2.346714
H -4.252413 -0.378062 1.961702
H 0.729044 3.656237 0.911055
H 0.476364 3.071161 -0.727528
H -6.242354 -1.560557 1.377506
H -7.645172 -0.755886 0.576665
H -6.536676 0.207428 1.625106


