%chk=000217961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217961

0 1
Br -6.323778 1.290021 -0.268647
S 2.226384 -0.194229 -0.440411
O 0.163852 3.062085 -0.332710
O 5.014873 2.329677 1.611260
O 4.976478 1.990391 -0.604823
N -0.156881 -1.612426 -0.351067
N -0.210082 0.782354 -0.386914
C 0.467323 -2.945973 -0.343639
C -0.654857 -4.000284 -0.179480
C 1.442788 -3.188177 0.833808
C -0.022951 -5.176461 0.581690
C 1.309872 -4.680899 1.178723
C 0.440671 -0.493243 -0.381475
C 2.100177 1.618451 -0.496793
C 0.617038 1.944684 -0.398220
C 2.876055 2.234583 0.652539
C -1.659703 0.893293 -0.360376
C -2.260837 1.799738 0.530131
C -2.438329 0.111690 -1.230257
C 4.356764 2.155663 0.416714
C -3.651968 1.918861 0.552232
C -3.829497 0.230281 -1.197526
C -4.420630 1.130868 -0.307977
H 0.998937 -3.108847 -1.318257
H -1.062022 -4.305793 -1.155605
H -1.506049 -3.575786 0.387480
H 1.168244 -2.566944 1.705965
H 2.479356 -2.922996 0.571779
H 0.147837 -6.034512 -0.090849
H -0.700784 -5.537391 1.373938
H 1.338282 -4.835449 2.270494
H 2.157079 -5.254298 0.763915
H 2.499080 1.982590 -1.485176
H 2.587865 3.311521 0.779269
H 2.619103 1.766210 1.633874
H -1.650105 2.422796 1.186047
H -1.968702 -0.594551 -1.917288
H -4.124708 2.624154 1.238578
H -4.440847 -0.378323 -1.866551
H 6.006172 2.302572 1.512804


%chk=000217961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217961

0 1
Br -6.313302 1.344672 0.119919
S 2.372753 -0.279447 -0.395501
O 0.245142 3.091552 -0.597350
O 5.221801 2.931642 1.052235
O 4.996464 1.938880 -1.037038
N -0.113915 -1.590976 0.018828
N -0.137779 0.774933 -0.316096
C 0.554989 -2.888877 0.166603
C -0.105125 -3.980810 -0.716307
C 0.388028 -3.466969 1.598315
C 0.317017 -5.326871 -0.057568
C 0.693242 -4.980820 1.427373
C 0.515378 -0.495382 -0.195212
C 2.161981 1.581681 -0.654207
C 0.670262 1.909342 -0.521975
C 2.991653 2.420683 0.330761
C -1.579444 0.893282 -0.207405
C -2.134963 1.863690 0.656849
C -2.420084 0.058336 -0.977576
C 4.473289 2.378295 0.009724
C -3.536234 2.002779 0.753852
C -3.821449 0.188169 -0.881370
C -4.363421 1.160454 -0.015613
H 1.642196 -2.829246 -0.074840
H 0.193239 -3.903628 -1.776440
H -1.200870 -3.838923 -0.662144
H -0.660731 -3.305045 1.910784
H 1.042185 -2.969796 2.335593
H 1.184406 -5.766454 -0.582463
H -0.500058 -6.067400 -0.113326
H 0.127620 -5.589902 2.153929
H 1.766073 -5.179167 1.605784
H 2.482728 1.801187 -1.687265
H 2.654806 3.474848 0.260725
H 2.833480 2.101158 1.375253
H -1.485745 2.519359 1.241697
H -1.987481 -0.696504 -1.637603
H -3.969146 2.754152 1.419596
H -4.475503 -0.456251 -1.474869
H 6.188019 2.919276 0.811552


