%chk=000251595.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251595

0 1
Br 0.542457 0.640993 2.527497
O 2.303060 0.168884 0.138699
O -2.113536 0.250937 -0.346359
O 0.240152 -1.757125 -0.564451
O 0.970148 1.385123 -1.239902
O -1.538558 2.142802 0.772082
O -0.788740 -1.975798 1.447955
C 0.003595 0.225589 0.693748
C 1.104907 0.680573 -0.274414
C -1.279306 1.030733 0.407430
C -0.254629 -1.286970 0.623040
C 3.456316 0.491420 -0.693808
C -3.380728 0.854270 -0.742797
C 0.067492 -3.182051 -0.817638
H 4.279898 0.053008 -0.118237
H 3.553787 1.577932 -0.789045
H 3.338418 0.017392 -1.673050
H -3.935908 1.166231 0.147719
H -3.872804 0.027649 -1.267985
H -3.182796 1.703346 -1.405403
H 0.526018 -3.295808 -1.806624
H -1.000100 -3.424180 -0.829453
H 0.594957 -3.755850 -0.049003


%chk=000251595-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251595

0 1
Br 0.566701 0.620408 2.684473
O 2.350671 0.191704 0.143789
O -2.078341 0.217442 -0.359295
O 0.282469 -1.808976 -0.508365
O 0.873234 1.417293 -1.175476
O -1.561717 2.125502 0.874184
O -0.823380 -2.030320 1.530237
C 0.020873 0.192910 0.789018
C 1.109216 0.680413 -0.194078
C -1.284013 0.983449 0.477519
C -0.228000 -1.334747 0.689267
C 3.456330 0.570850 -0.771670
C -3.320720 0.874686 -0.843164
C 0.024962 -3.243907 -0.790036
H 4.349752 0.108029 -0.331920
H 3.551574 1.668527 -0.812885
H 3.255620 0.178966 -1.782616
H -3.955925 1.152142 0.013968
H -3.807045 0.119537 -1.474916
H -3.059852 1.775825 -1.421702
H 0.495104 -3.425007 -1.765919
H -1.061517 -3.427295 -0.827904
H 0.478106 -3.868332 -0.002509


