%chk=000221928.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221928

0 1
Br -6.112414 -1.225655 1.447262
O -4.686110 0.353901 -0.902938
O -3.910017 1.194245 1.052823
C 1.319390 0.395817 0.201745
C 2.573933 -0.412157 -0.156214
C 0.043035 -0.315531 -0.267605
C 3.850150 0.299396 0.313107
C -1.206954 0.495198 0.094172
C 5.104508 -0.508065 -0.045552
C -2.481858 -0.210749 -0.380141
C 6.382112 0.203673 0.423228
C -3.706885 0.528643 0.069687
C 7.612345 -0.579927 0.070987
C -6.033351 0.794764 -0.593265
C 8.720512 -0.032275 -0.424228
C -6.838624 -0.427726 -0.191072
H 1.378660 1.403977 -0.252521
H 1.277799 0.561382 1.296121
H 2.616500 -0.577729 -1.250166
H 2.515928 -1.419708 0.299226
H 0.085246 -0.480474 -1.361806
H -0.013788 -1.323327 0.188211
H 3.808422 0.464974 1.407111
H 3.908033 1.307286 -0.141764
H -1.256877 0.656932 1.191872
H -1.148548 1.507672 -0.352708
H 5.150889 -0.669577 -1.140406
H 5.045822 -1.516875 0.406800
H -2.533988 -1.246506 0.025871
H -2.483887 -0.330389 -1.485621
H 6.422864 1.224523 -0.008097
H 6.354426 0.350635 1.524133
H 7.544047 -1.652494 0.263873
H -6.381340 1.225128 -1.551760
H -6.005169 1.575897 0.194236
H 9.607087 -0.601752 -0.660100
H 8.831224 1.021193 -0.632990
H -6.796663 -1.213212 -0.968526
H -7.895958 -0.177306 0.003116


%chk=000221928-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221928

0 1
Br -6.980499 -1.775009 0.982243
O -4.824650 0.153015 -0.729444
O -3.864636 1.404289 0.996641
C 1.374867 0.419268 0.246857
C 2.650329 -0.392937 -0.071373
C 0.072305 -0.295734 -0.177160
C 3.952213 0.338916 0.325472
C -1.194358 0.525070 0.148927
C 5.228502 -0.471904 0.008256
C -2.483983 -0.180601 -0.317990
C 6.531383 0.281042 0.390949
C -3.745760 0.561038 0.082431
C 7.779012 -0.538225 0.136798
C -6.162825 0.696956 -0.400236
C 8.810621 -0.176134 -0.667274
C -7.183431 -0.423542 -0.513549
H 1.432309 1.404471 -0.261485
H 1.337751 0.633596 1.335235
H 2.677067 -0.623447 -1.157064
H 2.604260 -1.370464 0.452761
H 0.110384 -0.506169 -1.266782
H 0.014218 -1.282374 0.328875
H 3.926458 0.572742 1.410623
H 3.997745 1.315071 -0.201166
H -1.256008 0.711965 1.237535
H -1.125825 1.521038 -0.331694
H 5.257316 -0.717248 -1.072317
H 5.193690 -1.440897 0.548388
H -2.547117 -1.193963 0.130112
H -2.493762 -0.332908 -1.412623
H 6.587361 1.235546 -0.168010
H 6.476922 0.544446 1.469227
H 7.823711 -1.510305 0.654954
H -6.394950 1.476290 -1.153338
H -6.139909 1.159528 0.601598
H 9.684349 -0.822123 -0.810750
H 8.809002 0.780166 -1.205801
H -7.063292 -1.000194 -1.442463
H -8.210270 -0.036472 -0.421262


