%chk=000189421.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189421

0 1
Br 0.514131 2.485491 -0.757343
S -0.407562 -4.181371 -0.209305
N -0.184433 0.364533 0.072762
C 0.966681 -0.375882 0.169776
C -1.357902 -0.309760 -0.104411
C 2.197519 0.434787 0.303423
C -2.594132 0.506975 -0.209318
C 0.981422 -1.780988 0.090391
C -1.425049 -1.714321 -0.196756
C -0.235454 -2.438689 -0.091983
C 2.169477 1.779373 -0.113016
C 3.394055 -0.083441 0.820507
C -3.578098 0.408037 0.785297
C -2.779260 1.365021 -1.303280
C 3.301742 2.588817 -0.049697
C 4.533433 0.723203 0.895094
C -4.746502 1.167692 0.680927
C -3.952084 2.118237 -1.401473
C 4.490561 2.050621 0.456866
C -4.935395 2.020831 -0.411280
C 1.255432 -4.862030 -0.074150
H 1.920561 -2.320659 0.163023
H -2.386417 -2.204491 -0.346934
H 3.434612 -1.113380 1.173628
H -3.426737 -0.251022 1.638861
H -2.009124 1.441540 -2.070698
H 3.264714 3.626852 -0.382235
H 5.459027 0.314911 1.299136
H -5.509773 1.095842 1.453949
H -4.098538 2.784405 -2.250070
H 5.383048 2.673286 0.513891
H -5.846535 2.610957 -0.489491
H 1.165367 -5.955255 -0.162063
H 1.719486 -4.640078 0.893536
H 1.914826 -4.514543 -0.878064


%chk=000189421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189421

0 1
Br 1.362481 1.938164 -2.403242
S -0.333105 -4.285621 0.016550
N -0.278507 0.373476 -0.023354
C 0.897789 -0.310012 0.005442
C -1.454877 -0.338134 -0.040888
C 2.162037 0.491114 0.059649
C -2.712202 0.465321 -0.083250
C 0.969723 -1.728202 0.035056
C -1.463687 -1.756616 -0.031957
C -0.237702 -2.462309 0.011991
C 2.499827 1.521516 -0.856058
C 3.094183 0.215081 1.099457
C -3.987002 -0.106026 0.180039
C -2.637809 1.850348 -0.396454
C 3.697792 2.258314 -0.735999
C 4.295314 0.940678 1.234205
C -5.155154 0.683204 0.121491
C -3.805833 2.637213 -0.457114
C 4.596478 1.970631 0.315403
C -5.071182 2.057959 -0.200458
C 1.474816 -4.789736 0.008443
H 1.947476 -2.215706 0.039751
H -2.407023 -2.307638 -0.082167
H 2.841389 -0.564353 1.827093
H -4.077940 -1.163059 0.453068
H -1.649615 2.280456 -0.585912
H 3.928270 3.042833 -1.462588
H 4.984117 0.711190 2.053862
H -6.129192 0.227922 0.333021
H -3.730928 3.701896 -0.705121
H 5.522302 2.548325 0.407146
H -5.979399 2.669431 -0.246324
H 1.467266 -5.890357 -0.005530
H 1.983508 -4.437761 0.919284
H 1.979488 -4.414041 -0.895034


