%chk=000187102.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187102

0 1
Br 7.486112 -2.515641 -0.543264
O -4.084153 0.209925 1.606531
O 0.750395 2.090905 -0.275955
O -4.755352 -1.575182 -1.068438
O -6.386160 -0.146407 -0.412730
N 1.999770 0.095029 -0.027475
N 4.238255 1.630416 -0.945853
C -4.714928 -1.035100 1.212995
C -2.853810 0.542087 1.064792
C -0.429379 1.461182 0.198764
C 3.262580 -0.487839 -0.149900
C -2.292703 1.676654 1.691214
C -2.216355 -0.128597 0.015219
C -5.735366 -1.283736 2.306655
C 4.377509 0.280252 -0.608532
C -1.057961 2.139905 1.254943
C -0.974150 0.339323 -0.425423
C 1.912825 1.382809 -0.352553
C -5.423596 -0.809053 -0.135366
C 3.441241 -1.864098 0.186183
C 5.659995 -0.335315 -0.727826
C 3.047889 2.179011 -0.826322
C 4.684113 -2.437754 0.064636
C 5.786282 -1.662266 -0.394457
C -5.226555 -1.516229 -2.441491
H -3.952345 -1.844309 1.136484
H -6.266229 -2.232619 2.162655
H -5.251520 -1.306843 3.294286
H -6.487914 -0.478046 2.344699
H -2.833464 2.165113 2.501003
H -2.669894 -0.993250 -0.471981
H -0.582890 3.009720 1.707602
H -0.440649 -0.165909 -1.230690
H 2.576031 -2.431001 0.537524
H 6.500938 0.269809 -1.080641
H 2.900726 3.235634 -1.081300
H 4.837082 -3.489875 0.318931
H -4.861674 -0.587650 -2.891470
H -6.320756 -1.559686 -2.471837
H -4.768741 -2.400670 -2.896314


%chk=000187102-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187102

0 1
Br 7.426063 -2.493627 -1.840987
O -4.445926 0.664915 1.458307
O 0.976203 2.003832 0.721631
O -4.571319 -2.178212 -0.639199
O -5.568002 -0.143133 -1.199099
N 2.071398 0.012601 -0.045459
N 4.471693 1.610714 -0.115997
C -5.019874 -0.660506 1.175136
C -3.072195 0.871026 1.220707
C -0.358085 1.512315 0.856146
C 3.287241 -0.536784 -0.447019
C -2.608936 2.177273 1.518806
C -2.172643 -0.109087 0.739642
C -6.432970 -0.635592 1.768843
C 4.492576 0.261129 -0.484522
C -1.255504 2.496873 1.335963
C -0.805439 0.208390 0.555521
C 2.089948 1.304808 0.299195
C -5.088172 -0.912569 -0.344089
C 3.351740 -1.909158 -0.829204
C 5.725239 -0.321479 -0.900356
C 3.294629 2.112364 0.265859
C 4.566017 -2.473878 -1.235903
C 5.743082 -1.668036 -1.266396
C -4.638376 -2.582206 -2.068156
H -4.403895 -1.452298 1.641627
H -6.934772 -1.607404 1.616957
H -6.374363 -0.431570 2.850759
H -7.028795 0.156473 1.286007
H -3.322526 2.919959 1.886175
H -2.508205 -1.121345 0.495797
H -0.876955 3.498939 1.556859
H -0.102530 -0.538507 0.188308
H 2.435544 -2.505836 -0.796290
H 6.618742 0.307419 -0.918609
H 3.244211 3.164930 0.561050
H 4.618145 -3.526029 -1.529494
H -4.042486 -1.887686 -2.683247
H -5.684655 -2.570485 -2.416339
H -4.220646 -3.597835 -2.093634


