%chk=000184014.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184014

0 1
Br -1.667765 -2.363977 -1.689302
S -5.178091 1.301447 0.307660
O 0.413357 1.736550 -0.000283
N -2.439707 1.201230 0.097765
N -3.488284 -0.637315 -0.735434
N 3.094155 -1.299266 0.125191
N 4.346136 1.169630 -0.418218
C -1.428019 0.327728 -0.370034
C 0.937741 -0.506560 -0.666222
C 0.010411 0.630904 -0.309324
C -3.659946 0.584336 -0.131423
C -2.135642 -0.783916 -0.874137
C 2.387254 -0.249685 -0.380790
C -2.247221 2.508528 0.728487
C 3.023054 0.990405 -0.643807
C 5.056656 0.119553 0.079933
C 4.414545 -1.117234 0.355091
C 6.513109 0.310137 0.326044
C -6.372966 0.104097 -0.308998
H 0.618729 -1.439731 -0.130536
H 0.821639 -0.758794 -1.749077
H -2.537006 2.479182 1.795689
H -1.178428 2.825479 0.675760
H -2.849208 3.284689 0.219379
H 2.459122 1.858022 -1.016440
H 4.964940 -1.970342 0.764614
H 6.845555 1.325801 0.049499
H 6.762306 0.168807 1.387758
H 7.116642 -0.397655 -0.259934
H -7.377310 0.451042 -0.034541
H -6.210521 -0.895492 0.122405
H -6.317038 -0.004100 -1.401875


%chk=000184014-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184014

0 1
Br -1.673660 -2.273599 -2.014108
S -5.200406 1.388539 0.431404
O 0.462157 1.560197 0.301546
N -2.431599 1.138571 0.208817
N -3.580494 -0.523796 -0.839830
N 3.064172 -1.230033 0.229938
N 4.413605 1.102081 -0.683889
C -1.446003 0.267108 -0.360098
C 0.957394 -0.548473 -0.830004
C 0.000494 0.507708 -0.250772
C -3.668870 0.615667 -0.104481
C -2.232794 -0.735873 -0.991944
C 2.412040 -0.283529 -0.511762
C -2.243403 2.359252 1.020864
C 3.099085 0.877989 -0.955646
C 5.073197 0.150709 0.057499
C 4.382391 -1.004725 0.505048
C 6.530811 0.396135 0.361884
C -6.409801 0.173086 -0.353322
H 0.699989 -1.547906 -0.437814
H 0.798448 -0.596863 -1.926104
H -2.637133 2.193715 2.039490
H -1.170979 2.587281 1.064590
H -2.789304 3.197918 0.553631
H 2.581973 1.650195 -1.533038
H 4.892835 -1.769849 1.099920
H 7.107552 0.497143 -0.574940
H 6.651588 1.343372 0.917243
H 6.965112 -0.423084 0.958991
H -7.408969 0.547378 -0.084022
H -6.235274 -0.830033 0.057729
H -6.265955 0.167218 -1.441920


