%chk=000222592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222592

0 1
Br 2.259774 0.933082 1.805801
O 0.401268 -0.856261 -1.182700
N -0.280893 0.432857 0.565279
C 3.141721 -1.061866 -0.164278
C 1.910245 -0.675267 0.712051
C 2.845275 -2.433814 -0.797145
C 4.386934 -1.180294 0.731279
C 3.375362 -0.016051 -1.260088
C 0.632571 -0.396062 -0.075392
C -2.740250 0.043371 0.660614
C -1.585303 0.735704 -0.079756
C -4.086998 0.397314 0.018389
C -5.252066 -0.285904 0.748491
C -6.595936 0.062433 0.112999
H 1.714488 -1.494238 1.443723
H 3.659442 -2.744954 -1.459795
H 1.932340 -2.398110 -1.415507
H 2.712004 -3.219706 -0.050076
H 4.772365 -0.201439 1.040030
H 4.193484 -1.759614 1.638836
H 5.203422 -1.679511 0.196365
H 4.251522 -0.266536 -1.867169
H 2.516262 0.041037 -1.944895
H 3.539210 0.986639 -0.851680
H -2.589688 -1.054675 0.643543
H -2.742757 0.331301 1.729044
H -1.722872 1.839589 -0.086400
H -1.555735 0.404848 -1.147196
H -4.235040 1.494496 0.022426
H -4.087721 0.096871 -1.048118
H -0.184547 0.756780 1.523760
H -5.108799 -1.384526 0.739987
H -5.255204 0.010728 1.815589
H -7.421829 -0.430115 0.638659
H -6.788569 1.140999 0.137976
H -6.641184 -0.253805 -0.935643


%chk=000222592-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222592

0 1
Br 1.937292 0.118293 2.496244
O 0.070727 -2.217462 -0.341386
N -0.188812 0.047572 0.145254
C 3.094440 -0.917268 -0.104737
C 1.885674 -1.169015 0.857296
C 3.040069 -2.016916 -1.212703
C 4.428366 -1.082766 0.672726
C 3.036226 0.482695 -0.765724
C 0.495794 -1.141415 0.191317
C -2.673068 0.070607 0.568243
C -1.525379 0.162900 -0.464587
C -4.061473 0.211240 -0.094279
C -5.225262 0.132061 0.920140
C -6.611526 0.270915 0.254977
H 1.995874 -2.152121 1.342825
H 3.919587 -1.897823 -1.871916
H 2.126710 -1.945730 -1.825116
H 3.068612 -3.031543 -0.776132
H 4.564085 -0.289109 1.426810
H 4.472069 -2.060139 1.189162
H 5.275367 -1.034876 -0.035971
H 3.910329 0.615611 -1.428699
H 2.124512 0.605044 -1.377586
H 3.060921 1.285591 -0.006794
H -2.601370 -0.902437 1.091440
H -2.546995 0.860135 1.337510
H -1.582371 1.125090 -1.009627
H -1.618051 -0.655689 -1.199871
H -4.119021 1.178066 -0.638020
H -4.187826 -0.584457 -0.857590
H 0.180099 0.833137 0.687728
H -5.168611 -0.832718 1.463595
H -5.098123 0.926778 1.683457
H -7.425297 0.212875 1.000873
H -6.704377 1.239752 -0.271470
H -6.776894 -0.531576 -0.488385


