%chk=000218759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218759

0 1
Br -3.701111 -2.144293 -2.049822
S 6.718156 0.469051 1.040358
S 7.123719 -1.008076 -0.332610
O -3.697796 0.409350 -0.493251
O 5.788276 -1.973470 -0.012270
O 6.953676 -0.500261 -1.649879
O 8.253788 -1.764963 0.089102
N 2.885985 1.361106 0.010254
N -7.181239 -1.771076 0.182091
C 0.444436 1.670130 -0.202286
C -0.931611 1.302724 0.363914
C 1.558151 0.888386 0.513326
C -2.050632 2.063590 -0.357683
C -3.431736 1.693690 0.172273
C 4.014524 0.569424 0.593439
C 5.301765 1.331972 0.286665
C -4.859701 -0.237515 -0.216071
C -5.024680 -1.476969 -0.880173
C -5.868987 0.220608 0.647076
C -6.197847 -2.206652 -0.652447
C -7.007913 -0.580247 0.812583
H 0.628683 2.758595 -0.093180
H 0.473409 1.468210 -1.290766
H -1.110099 0.211601 0.259802
H -0.963804 1.515773 1.449760
H 1.519075 1.088320 1.607694
H 1.404999 -0.204856 0.381018
H -2.012268 1.838257 -1.447317
H -1.900782 3.157366 -0.265673
H 2.913173 1.290078 -1.014224
H -3.458225 1.536159 1.262802
H -4.211753 2.408128 -0.140413
H 4.064693 -0.476507 0.206094
H 3.867511 0.487306 1.694992
H 5.458020 1.474928 -0.803102
H 5.273495 2.352965 0.728473
H -5.786497 1.163042 1.175437
H -6.374871 -3.173974 -1.144327
H -7.824691 -0.266525 1.475706
H 5.939313 -2.929773 0.072436


%chk=000218759-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218759

0 1
Br -3.834776 -2.503679 -1.550013
S 6.695439 0.487375 1.414754
S 7.661891 -0.696961 -0.541991
O -3.796592 0.376929 -0.447175
O 7.255941 -2.424761 0.018380
O 6.716249 -0.341866 -1.815269
O 9.267592 -0.616131 -0.720451
N 2.805799 1.015206 0.126842
N -7.542510 -1.506324 0.207990
C 0.389323 1.562172 -0.121812
C -1.051078 1.217416 0.315127
C 1.442276 0.677792 0.574494
C -2.105283 2.101853 -0.386022
C -3.543278 1.765789 0.011904
C 3.934663 0.358405 0.796111
C 5.220151 1.147286 0.478062
C -5.036962 -0.184578 -0.204439
C -5.255857 -1.520328 -0.644197
C -6.113991 0.469954 0.450685
C -6.503536 -2.134126 -0.421951
C -7.328425 -0.226160 0.628953
H 0.616105 2.624100 0.096715
H 0.474772 1.436475 -1.222013
H -1.269332 0.156063 0.091225
H -1.142580 1.338090 1.414987
H 1.396157 0.834931 1.670604
H 1.195553 -0.397978 0.396991
H -2.010109 2.000182 -1.484288
H -1.926999 3.169173 -0.142984
H 2.903627 1.066651 -0.895320
H -3.681182 1.813931 1.111653
H -4.268206 2.445691 -0.478495
H 4.080547 -0.707971 0.506840
H 3.743719 0.373846 1.886200
H 5.465096 1.067401 -0.602613
H 5.117290 2.219120 0.728248
H -6.017115 1.495956 0.815142
H -6.680649 -3.161450 -0.756648
H -8.172190 0.259405 1.131411
H 7.887064 -3.043278 -0.457835


