%chk=000292055.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292055

0 1
Br -3.633003 -2.255131 0.530498
S 2.185734 1.280607 0.149072
O 3.539389 1.510714 -0.297047
O 1.702178 1.860592 1.392720
N 1.177943 1.986969 -1.094907
N -0.067601 2.561978 -0.715025
N -0.723786 -2.725693 1.535521
C 1.769596 -0.398396 0.068706
C -1.026344 1.508758 -0.423694
C -1.676251 1.415999 0.834924
C 0.738282 -0.879036 0.871786
C 2.422662 -1.227458 -0.843804
C -1.310208 0.580156 -1.440533
C 0.300211 -2.215434 0.716991
C -2.528396 0.328605 1.072854
C 2.011121 -2.561662 -0.972891
C -1.418094 2.407432 1.916873
C 0.951642 -3.056155 -0.218132
C -2.149519 -0.507044 -1.188555
C -2.703979 -0.638571 0.082960
H 1.614683 2.572393 -1.827988
H 0.046352 3.204052 0.098716
H 0.265321 -0.233945 1.617492
H 3.248487 -0.851339 -1.451361
H -0.837937 0.696731 -2.419388
H -3.030411 0.236635 2.036875
H 2.523065 -3.216022 -1.679700
H -1.936909 2.165339 2.853806
H -0.335865 2.453962 2.166437
H -1.739668 3.419903 1.634362
H 0.630460 -4.089151 -0.337657
H -2.342193 -1.242226 -1.970055
H -1.218576 -3.541813 1.209562
H -1.301885 -2.061550 2.029283


%chk=000292055-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292055

0 1
Br -4.835375 4.480204 2.145075
S 0.754431 -1.936662 -2.233831
O 1.216818 -0.555571 -3.053320
O -0.795462 -1.565003 -1.389582
N -0.105957 1.635026 -1.993317
N -0.934078 1.025746 -1.210999
N 2.132889 -3.407637 2.665559
C 1.913584 -1.902990 -0.724941
C -1.834489 1.841144 -0.433684
C -2.756036 1.183883 0.437936
C 1.561102 -2.659812 0.403409
C 3.100291 -1.156412 -0.826085
C -1.806273 3.257601 -0.539389
C 2.447641 -2.678071 1.520011
C -3.638463 1.996702 1.194888
C 3.971143 -1.178933 0.290396
C -2.823179 -0.323904 0.581493
C 3.659975 -1.927094 1.442059
C -2.685463 4.049891 0.215289
C -3.596364 3.399614 1.079354
H 0.487222 0.880242 -2.491891
H -0.882435 -0.486566 -1.221408
H 0.606772 -3.198275 0.437953
H 3.310925 -0.571623 -1.726494
H -1.082518 3.709511 -1.224525
H -4.355850 1.523989 1.872040
H 4.905228 -0.607220 0.257622
H -3.610807 -0.609734 1.297925
H -3.036112 -0.821137 -0.381589
H -1.864684 -0.744110 0.934995
H 4.352283 -1.931762 2.292863
H -2.667911 5.140144 0.137237
H 2.759318 -3.417075 3.464878
H 1.278337 -3.953907 2.718774


