%chk=000218813.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218813

0 1
Br 10.663702 -0.878796 0.028715
S -12.671048 0.224465 0.016088
O 4.942717 0.842371 0.020058
N -8.697082 -0.512632 -0.007856
N 6.516450 -0.908648 0.000662
C -2.448618 0.519538 -0.042833
C -1.160159 -0.314181 -0.045343
C -3.694651 -0.375953 -0.067067
C 0.085625 0.581590 -0.020782
C -4.983376 0.457516 -0.064042
C 1.373560 -0.252808 -0.023918
C -6.226754 -0.439870 -0.085627
C 2.614927 0.645862 0.000412
C -7.513860 0.400570 -0.082960
C 3.887079 -0.193422 -0.004109
C -9.985685 0.243150 -0.116376
C -11.127135 -0.737659 0.149222
C 6.231814 0.427981 0.021639
C 7.214664 1.450778 0.045668
C 8.545118 1.058368 0.047815
C 7.828568 -1.266310 0.003300
C 8.855892 -0.312924 0.026405
H -2.472371 1.173029 0.850742
H -2.457764 1.201402 -0.915048
H -1.151935 -0.995762 0.827329
H -1.137139 -0.968154 -0.938508
H -3.670960 -1.030488 -0.959663
H -3.685867 -1.057243 0.806008
H 0.061681 1.235150 0.872953
H 0.075974 1.264003 -0.892891
H -5.005444 1.110280 0.830557
H -4.992240 1.139263 -0.936361
H 1.395555 -0.905909 -0.918593
H 1.381439 -0.934173 0.849714
H -6.201393 -1.102705 -0.971344
H -6.226544 -1.115490 0.794527
H 2.603602 1.305010 0.892492
H 2.616865 1.334535 -0.869121
H -7.535495 1.055544 0.817143
H -7.535693 1.072221 -0.968175
H 4.020105 -0.796709 -0.917277
H 4.007399 -0.825747 0.891007
H -8.644114 -1.210123 -0.758650
H -10.113723 0.745302 -1.101544
H -9.984668 1.047997 0.655891
H -11.025185 -1.187635 1.156074
H -11.133228 -1.569225 -0.578051
H -13.541634 -0.698025 0.476424
H 6.912273 2.494582 0.061591
H 9.341629 1.806560 0.065953
H 8.033024 -2.345877 -0.013747


%chk=000218813-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218813

0 1
Br 10.736352 -1.374905 0.145852
S -12.895627 -0.051175 0.116657
O 5.105594 0.952918 -0.016317
N -8.787157 -0.527962 -0.094148
N 6.540851 -0.931785 0.051630
C -2.473839 0.632813 -0.069582
C -1.149723 -0.163831 -0.066602
C -3.726432 -0.272061 -0.080096
C 0.107802 0.733987 -0.058801
C -5.054496 0.517992 -0.075617
C 1.425415 -0.073257 -0.046769
C -6.299816 -0.396406 -0.087668
C 2.683780 0.826239 -0.041773
C -7.624731 0.389944 -0.069772
C 3.964800 -0.007297 -0.017409
C -10.108900 0.132758 -0.053096
C -11.203794 -0.924575 0.161200
C 6.380344 0.416700 0.019244
C 7.467576 1.333976 0.020409
C 8.771944 0.812809 0.057730
C 7.810331 -1.432392 0.087961
C 8.940450 -0.593667 0.092236
H -2.506161 1.293795 0.821758
H -2.497354 1.303036 -0.954323
H -1.127849 -0.832167 0.819631
H -1.120353 -0.827532 -0.956156
H -3.694877 -0.930021 -0.973890
H -3.699307 -0.945536 0.801836
H 0.078216 1.400755 0.827973
H 0.091715 1.397759 -0.948168
H -5.087298 1.172095 0.820687
H -5.081295 1.194186 -0.955642
H 1.450558 -0.742551 -0.931938
H 1.438245 -0.734923 0.844390
H -6.267943 -1.042054 -0.991746
H -6.281926 -1.076507 0.785989
H 2.666920 1.494252 0.840889
H 2.687386 1.475892 -0.938155
H -7.684514 0.988903 0.860872
H -7.632094 1.119030 -0.920266
H 4.054649 -0.663723 -0.903099
H 4.033866 -0.642168 0.885544
H -8.720641 -1.186504 -0.884191
H -10.337762 0.730075 -0.970952
H -10.113888 0.839030 0.798438
H -11.068460 -1.415113 1.137373
H -11.182556 -1.683285 -0.640568
H -13.645206 -1.154809 0.489914
H 7.275943 2.409221 -0.006873
H 9.637915 1.480721 0.060197
H 7.909242 -2.522078 0.113709


