%chk=000271582.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271582

0 1
Br -6.793669 0.383524 -0.986064
O -0.365254 -0.089733 2.349105
N -0.780524 0.017313 -0.032955
C 1.490353 -0.144019 0.980522
C 2.113410 1.100449 0.377537
C 1.975487 -1.403776 0.289076
C -0.033238 -0.060712 1.005667
C 3.061598 1.809883 1.131484
C 2.839363 -2.262731 0.986759
C 1.778986 1.545119 -0.908987
C 1.597454 -1.718916 -1.023345
C 3.666811 2.952060 0.600468
C 3.318027 -3.424096 0.374450
C 2.385918 2.688664 -1.434728
C 2.077689 -2.882187 -1.630519
C 3.330469 3.394126 -0.682792
C 2.938410 -3.736625 -0.934568
C -2.188570 0.099329 -0.151410
C -1.749003 -0.027972 2.761563
C -2.809052 1.362912 -0.237826
C -2.944286 -1.079006 -0.323066
C -4.177747 1.443620 -0.492767
C -4.312554 -0.990330 -0.577729
C -4.916539 0.267946 -0.653329
H 1.805072 -0.199873 2.069296
H 3.331775 1.474587 2.131177
H 3.142239 -2.029166 2.005848
H 1.039315 0.999795 -1.500900
H 0.922694 -1.056717 -1.572017
H 4.402461 3.497843 1.188787
H 3.988739 -4.086127 0.919468
H 2.121228 3.029123 -2.434679
H 1.779731 -3.121468 -2.650250
H 3.802686 4.283528 -1.094939
H 3.312116 -4.641123 -1.410077
H -2.199341 0.916394 2.441794
H -1.663840 -0.070937 3.855522
H -2.298930 -0.892694 2.378437
H -2.215666 2.269536 -0.125874
H -2.454980 -2.051125 -0.276732
H -4.660687 2.419961 -0.565959
H -4.899952 -1.899981 -0.716747


%chk=000271582-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271582

0 1
Br -6.818889 0.530985 -1.181377
O -0.349522 -0.059348 2.479039
N -0.776315 -0.066622 0.077905
C 1.522274 -0.043898 1.004704
C 2.092020 1.200020 0.299807
C 2.012675 -1.367335 0.383069
C -0.007776 -0.041240 1.112920
C 3.282066 1.771733 0.818972
C 2.655376 -2.323769 1.207398
C 1.511728 1.774162 -0.859751
C 1.835814 -1.655532 -0.993458
C 3.883477 2.887849 0.197019
C 3.116676 -3.547472 0.669636
C 2.109987 2.894130 -1.480400
C 2.294524 -2.877392 -1.531623
C 3.297875 3.454760 -0.958236
C 2.937727 -3.827917 -0.703631
C -2.163171 0.058776 -0.123941
C -1.757125 -0.246874 2.894998
C -2.831363 1.301713 0.077152
C -2.895248 -1.028914 -0.678817
C -4.199945 1.443389 -0.237878
C -4.266013 -0.895958 -0.982026
C -4.908427 0.339924 -0.755231
H 1.882462 -0.023953 2.047712
H 3.743008 1.336740 1.714641
H 2.794541 -2.111431 2.274757
H 0.585490 1.351823 -1.262701
H 1.337047 -0.926632 -1.639287
H 4.802476 3.315100 0.614043
H 3.614274 -4.276084 1.319652
H 1.647028 3.328110 -2.374121
H 2.154430 -3.087385 -2.598140
H 3.760050 4.322179 -1.442794
H 3.296192 -4.774022 -1.124686
H -2.348754 0.664306 2.706639
H -1.703043 -0.451577 3.974340
H -2.213278 -1.100773 2.366341
H -2.270207 2.160360 0.461708
H -2.379192 -1.974962 -0.869797
H -4.701785 2.402621 -0.080288
H -4.820964 -1.743191 -1.395569


