%chk=000230753.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230753

0 1
Cl 5.209823 1.540776 -1.222984
S -4.908265 -0.539707 -0.076218
N -2.348526 -0.110178 -0.746755
N 0.498906 -0.285006 -0.280566
C -1.752600 -1.296215 -0.048292
C -1.366433 0.432091 -1.745301
C -0.476109 -0.858659 0.696222
C -0.088633 0.880281 -1.007572
C -3.640730 -0.441777 -1.390418
C 1.869230 -0.260210 0.056490
C 2.765846 0.590945 -0.636004
C 2.394795 -1.167681 1.013768
C -4.760495 1.068525 0.778337
C 4.124867 0.494684 -0.361803
C 3.763496 -1.226992 1.254365
C 4.657344 -0.392686 0.570719
C -5.727309 1.024670 1.941048
H -1.518174 -2.132611 -0.742428
H -2.490756 -1.679199 0.693057
H -1.821371 1.313450 -2.246484
H -1.104520 -0.303664 -2.537033
H -0.732231 -0.117496 1.487121
H -0.026261 -1.743816 1.201540
H 0.644558 1.269942 -1.750797
H -0.326193 1.711683 -0.305482
H -3.676165 -1.417019 -1.921391
H -3.924650 0.348448 -2.116228
H 2.405078 1.298123 -1.380561
H 1.726275 -1.834838 1.554938
H -3.713427 1.212580 1.111067
H -4.995737 1.887553 0.075799
H 4.150431 -1.934050 1.989863
H 5.725409 -0.437934 0.760922
H -6.766616 0.878594 1.614473
H -5.492400 0.216262 2.647592
H -5.698954 1.965034 2.508796


%chk=000230753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230753

0 1
Cl 5.084345 2.181777 -0.556661
S -5.030706 -0.609153 -0.008046
N -2.353506 -0.267152 -0.803613
N 0.478616 -0.328627 -0.253776
C -1.767091 -1.386757 -0.034935
C -1.383856 0.259676 -1.790922
C -0.501201 -0.913442 0.694568
C -0.099149 0.742019 -1.089517
C -3.683495 -0.541561 -1.347812
C 1.854477 -0.304066 0.069185
C 2.687335 0.791651 -0.319267
C 2.470960 -1.392377 0.764120
C -4.890067 1.176590 0.622824
C 4.062112 0.752448 -0.034545
C 3.850038 -1.384540 1.041491
C 4.683167 -0.310858 0.641739
C -5.538368 1.292573 2.009825
H -1.511251 -2.246802 -0.703214
H -2.516034 -1.726785 0.702914
H -1.840155 1.113080 -2.326292
H -1.106022 -0.515975 -2.547219
H -0.792055 -0.152525 1.453572
H -0.050985 -1.764986 1.226122
H 0.626640 1.023816 -1.871409
H -0.330436 1.647811 -0.482476
H -3.778309 -1.527716 -1.856838
H -3.950722 0.254243 -2.064213
H 2.274449 1.676060 -0.808364
H 1.880389 -2.263696 1.060931
H -3.809507 1.400262 0.652335
H -5.383422 1.838211 -0.110598
H 4.294954 -2.237665 1.565629
H 5.756329 -0.307242 0.845974
H -6.608039 1.016982 1.982740
H -5.033240 0.634871 2.739023
H -5.466692 2.333757 2.376527


