%chk=000269747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269747

0 1
Br -4.518993 2.707658 0.522260
O 2.900339 1.823500 0.669900
O 1.684653 -2.270571 0.589496
O 2.469034 1.657276 -1.557402
O 3.625288 -1.358123 -0.130000
N -0.477073 -0.793508 0.600165
N 0.333492 0.184038 0.220056
C -1.871779 -0.500539 0.791916
C -2.406642 0.783314 0.583507
C -2.693028 -1.569291 1.204901
C 1.615899 0.000102 0.010270
C -3.771264 0.969959 0.798127
C -4.054411 -1.341222 1.408195
C 3.691846 3.043637 0.474462
C 2.323549 -3.584250 0.712777
C -4.607087 -0.071047 1.207538
C 2.351828 1.236092 -0.436602
C 2.456699 -1.214811 0.119814
C 2.775108 4.218640 0.213234
C 2.369511 -4.250897 -0.644106
H -1.763527 1.608483 0.260669
H -2.280980 -2.563703 1.366543
H -0.152417 -1.771708 0.759580
H -4.696890 -2.163611 1.727885
H 4.408190 2.866006 -0.347061
H 4.213309 3.100055 1.447934
H 1.646242 -4.082563 1.428572
H 3.327533 -3.442091 1.153792
H -5.672487 0.095328 1.369684
H 1.980774 4.286876 0.968230
H 2.281492 4.129160 -0.767074
H 3.325300 5.166823 0.218887
H 3.060122 -3.725908 -1.323197
H 1.386708 -4.259544 -1.131635
H 2.715764 -5.289260 -0.569918


%chk=000269747-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269747

0 1
Br -4.994018 2.347295 0.067380
O 3.262408 1.735146 0.252264
O 1.616206 -2.060984 0.763070
O 1.543870 2.337894 -1.212116
O 3.495038 -1.085943 -0.239933
N -0.629899 -0.745226 0.584163
N 0.112802 0.297632 0.188197
C -2.034365 -0.611407 0.711503
C -2.684870 0.604286 0.376055
C -2.775698 -1.726013 1.179491
C 1.437896 0.224051 0.028614
C -4.079459 0.671353 0.525051
C -4.175016 -1.620614 1.313311
C 4.012699 2.976815 -0.112941
C 2.384694 -3.341897 0.891795
C -4.847715 -0.419626 0.988837
C 2.054545 1.527623 -0.405638
C 2.315320 -0.970701 0.153749
C 3.541265 4.162524 0.733522
C 2.276379 -4.176741 -0.386426
H -2.093010 1.446918 0.012514
H -2.264080 -2.660805 1.436610
H -0.155842 -1.639583 0.814902
H -4.752198 -2.478052 1.674383
H 3.867924 3.168948 -1.190708
H 5.061693 2.709202 0.090276
H 1.920290 -3.838211 1.759357
H 3.432998 -3.084338 1.118664
H -5.932525 -0.337293 1.093000
H 3.624756 3.934737 1.810217
H 2.494133 4.417902 0.500819
H 4.169578 5.046728 0.517583
H 2.750097 -3.656065 -1.234895
H 1.222995 -4.389785 -0.638957
H 2.797209 -5.141469 -0.242315


