%chk=000218881.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218881

0 1
Br -8.630784 1.428809 0.252018
S 7.328408 1.428162 -1.640375
O -3.147826 -0.861695 -0.366408
N 5.813979 0.211014 0.196520
N -4.532252 0.839489 0.489310
C 5.507276 -1.137482 0.777931
C 4.181582 -1.692920 0.229415
C 2.985543 -0.808382 0.603614
C 1.672218 -1.373862 0.048767
C 6.968002 0.850519 0.920671
C 6.075219 0.147836 -1.266874
C 0.481902 -0.479351 0.420586
C 7.493322 2.006086 0.078672
C -0.830312 -1.044050 -0.134759
C -2.004050 -0.148617 0.243551
C -4.380430 -0.323182 -0.213118
C -5.450275 -1.034904 -0.814600
C -6.726132 -0.508847 -0.674987
C -5.793287 1.333742 0.611153
C -6.900220 0.686660 0.044619
H 6.319121 -1.877045 0.601347
H 5.421535 -1.014332 1.881175
H 4.035534 -2.715935 0.629150
H 4.235979 -1.805653 -0.870189
H 2.922944 -0.704310 1.703409
H 3.155934 0.219707 0.220595
H 1.739228 -1.471900 -1.052193
H 1.508492 -2.398893 0.433706
H 6.566475 1.220095 1.891498
H 7.787222 0.135405 1.154777
H 6.441536 -0.829147 -1.638742
H 5.126278 0.395231 -1.790197
H 0.416778 -0.379831 1.522024
H 0.648684 0.545515 0.033225
H 6.900495 2.928608 0.219703
H 8.549042 2.244789 0.289058
H -1.005537 -2.071795 0.243650
H -0.776442 -1.145894 -1.237933
H -1.955538 0.860607 -0.197649
H -2.181998 -0.081524 1.329490
H -5.252712 -1.954519 -1.359035
H -7.585143 -1.017955 -1.119264
H -5.890593 2.269149 1.179589


%chk=000218881-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218881

0 1
Br -8.623443 1.790044 0.254332
S 6.855585 1.850194 -1.682421
O -3.225585 -0.963025 -0.398460
N 5.903751 0.167066 0.220892
N -4.510932 0.853436 0.418083
C 5.603119 -1.168276 0.794812
C 4.267618 -1.757558 0.292331
C 3.042577 -0.876873 0.620497
C 1.719557 -1.462313 0.080192
C 7.053603 0.853567 0.859115
C 6.116338 0.150940 -1.240026
C 0.489547 -0.586717 0.409804
C 7.189564 2.213935 0.157818
C -0.827857 -1.176736 -0.144948
C -2.028433 -0.288660 0.181043
C -4.445838 -0.330926 -0.244010
C -5.582465 -0.978392 -0.803180
C -6.833978 -0.356185 -0.661026
C -5.729826 1.453642 0.552867
C -6.903067 0.879653 0.028680
H 6.430309 -1.895247 0.581891
H 5.550090 -1.047348 1.894391
H 4.143264 -2.757716 0.755454
H 4.318438 -1.931958 -0.801692
H 2.969820 -0.753624 1.721629
H 3.207680 0.137499 0.208497
H 1.794441 -1.584534 -1.020885
H 1.565804 -2.480491 0.495766
H 6.849046 0.980718 1.938013
H 8.006673 0.275799 0.748921
H 6.844256 -0.628139 -1.566507
H 5.164488 0.029009 -1.779745
H 0.410728 -0.467304 1.510508
H 0.646375 0.431056 -0.003756
H 6.431542 2.929095 0.510584
H 8.201004 2.638894 0.251648
H -0.996958 -2.185809 0.278299
H -0.753702 -1.296429 -1.243147
H -1.938552 0.719988 -0.263546
H -2.180501 -0.169179 1.270107
H -5.467041 -1.931265 -1.325084
H -7.735012 -0.817488 -1.074833
H -5.752832 2.407054 1.089990


