%chk=000264690.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264690

0 1
Br 6.398227 0.587547 -1.309294
S -2.022674 -0.561033 -0.575191
S 0.419397 0.137717 0.997025
O 0.401790 -0.844890 2.080944
O -0.086036 1.473800 1.324176
N -0.450395 -0.431121 -0.296568
C -2.781297 -1.857777 0.534024
C -2.845704 0.956923 0.009676
C -2.673367 -1.479303 1.998177
C -4.231499 -1.958542 0.070687
C -2.004702 -3.132219 0.229891
C -3.699062 1.494686 -1.130884
C -4.429929 2.772411 -0.717584
C 2.039756 0.263258 0.378400
C 2.439554 1.423707 -0.287929
C 2.929932 -0.799122 0.550972
C 3.740794 1.528298 -0.793686
C 4.234190 -0.708995 0.050538
C 4.617026 0.455780 -0.617256
H -3.442611 0.788572 0.925021
H -2.078464 1.709189 0.323248
H -1.620045 -1.453183 2.352124
H -3.118715 -0.505275 2.233607
H -3.172209 -2.217780 2.639706
H -4.320405 -2.170097 -1.002117
H -4.811857 -1.053711 0.287692
H -4.741383 -2.782992 0.591025
H -2.019235 -3.401465 -0.832669
H -0.946770 -3.047471 0.530397
H -2.414331 -3.985424 0.786417
H -3.064583 1.708379 -2.017548
H -4.440058 0.737975 -1.459973
H -5.109520 2.600267 0.124499
H -3.726030 3.556508 -0.409850
H -5.024778 3.174410 -1.545512
H 1.741411 2.259640 -0.409370
H 2.614054 -1.702059 1.086972
H 4.055739 2.433481 -1.313285
H 4.931189 -1.536490 0.184896


%chk=000264690-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000264690

0 1
Br 6.225496 1.107330 -1.504910
S -2.376072 -0.883603 -0.673095
S 0.137922 0.055933 0.837369
O 0.274203 -1.057312 2.043054
O -0.496290 1.522627 1.245340
N -0.605478 -0.641642 -0.742744
C -2.980011 -2.211933 0.762403
C -3.214158 0.778891 -0.118563
C -3.025894 -1.542062 2.140285
C -4.365384 -2.646628 0.249357
C -1.927688 -3.325828 0.682433
C -2.942342 1.857588 -1.173001
C -3.441195 3.231807 -0.666857
C 1.868142 0.346530 0.150553
C 2.157095 1.599846 -0.410438
C 2.809788 -0.688468 0.256251
C 3.462243 1.829378 -0.902350
C 4.114416 -0.460174 -0.238017
C 4.416429 0.792407 -0.815000
H -4.285049 0.527139 -0.021992
H -2.763444 1.044800 0.850730
H -2.024659 -1.202205 2.457688
H -3.738518 -0.700386 2.181953
H -3.368426 -2.298708 2.874563
H -4.312062 -3.082676 -0.763557
H -5.091789 -1.813314 0.240446
H -4.762929 -3.421751 0.932603
H -1.837464 -3.739835 -0.337632
H -0.941136 -2.956864 1.010754
H -2.235384 -4.145851 1.360217
H -1.854007 1.910604 -1.358038
H -3.433112 1.598182 -2.130245
H -4.524567 3.218296 -0.443821
H -2.900592 3.523629 0.251243
H -3.263684 4.010278 -1.430403
H 1.392252 2.382240 -0.439286
H 2.539151 -1.636506 0.731129
H 3.726198 2.794200 -1.343528
H 4.875401 -1.242357 -0.173495


