%chk=000276447.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276447

0 1
Br -1.685776 -4.976723 -0.137074
S 0.900817 1.708166 0.416552
O 0.912178 3.079874 -0.041675
O 0.341030 1.387995 1.714365
N -0.063112 0.897564 -0.784229
C -0.463475 -0.462783 -0.581832
C -1.815836 -0.805752 -0.331682
C 2.455054 0.995824 0.269431
C -2.856040 0.234182 -0.175680
C 0.509363 -1.474379 -0.688758
C -2.171668 -2.155159 -0.206574
C 3.282148 1.326335 -0.810931
C 2.909115 0.099978 1.246588
C 5.007233 -0.146216 0.052738
C 4.549887 0.756836 -0.923563
C 4.175279 -0.471855 1.139615
C 0.147697 -2.814835 -0.550914
C -1.189573 -3.140660 -0.315155
C -2.800270 1.119983 0.912139
C -3.903633 0.326777 -1.104541
C 6.357674 -0.765660 -0.070653
C -3.790888 2.092412 1.065590
C -4.889331 1.304495 -0.944771
C -4.834903 2.186920 0.138911
H -0.801266 1.470025 -1.232028
H 1.547099 -1.214325 -0.901329
H -3.213946 -2.421088 -0.012652
H 2.938105 2.038471 -1.569425
H 2.266629 -0.149649 2.101181
H 5.187623 1.016840 -1.766881
H 4.521754 -1.168078 1.901822
H 0.906489 -3.594395 -0.635184
H -1.981222 1.048579 1.638399
H -3.946474 -0.361071 -1.947264
H 6.303558 -1.709988 -0.635860
H 7.073076 -0.118568 -0.598174
H 6.804110 -1.003339 0.905643
H -3.746334 2.779549 1.910284
H -5.701613 1.377842 -1.666012
H -5.604158 2.947175 0.261582


%chk=000276447-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276447

0 1
Br -2.162218 -5.106946 -0.036250
S 0.917055 1.589366 0.514458
O 0.876475 3.152042 0.056806
O 0.387809 1.124544 1.993654
N -0.067943 0.644779 -0.972754
C -0.590644 -0.634285 -0.641226
C -1.980204 -0.867950 -0.350743
C 2.659566 0.922071 0.317350
C -2.971166 0.244302 -0.226139
C 0.307632 -1.737198 -0.714760
C -2.424915 -2.206951 -0.205129
C 3.457261 1.440260 -0.716688
C 3.107082 -0.042668 1.232929
C 5.280597 -0.030060 0.063435
C 4.775006 0.950415 -0.834143
C 4.431681 -0.515150 1.092370
C -0.135049 -3.057082 -0.521856
C -1.509967 -3.273833 -0.279621
C -2.757011 1.314004 0.687915
C -4.167393 0.224365 -0.993919
C 6.709938 -0.523071 -0.064350
C -3.713865 2.345093 0.813129
C -5.120737 1.257843 -0.865711
C -4.895071 2.324138 0.035833
H -0.820357 1.349786 -1.125347
H 1.354442 -1.538484 -0.965251
H -3.480112 -2.398678 0.009661
H 3.066071 2.205752 -1.393855
H 2.446378 -0.394801 2.031742
H 5.420574 1.336727 -1.631304
H 4.808325 -1.267036 1.794932
H 0.563106 -3.896138 -0.583988
H -1.868017 1.314096 1.331257
H -4.336915 -0.591622 -1.706373
H 6.976636 -0.720968 -1.117890
H 7.422059 0.234786 0.314683
H 6.874596 -1.449691 0.510950
H -3.536511 3.158922 1.524362
H -6.034020 1.233351 -1.470489
H -5.633777 3.127269 0.134319


