%chk=000219108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219108

0 1
Cl 7.013613 0.877775 -0.052330
S -3.203261 0.701531 1.393629
O -2.400925 1.391100 2.406338
O -4.569419 0.381888 1.684398
O 1.314815 0.962018 1.306091
O 1.332842 0.017796 -1.725815
O -4.221073 0.670535 -1.465397
N 2.266045 -1.900837 -0.898282
N -3.144616 1.911981 0.131041
N -3.747131 2.872996 -1.978207
C 0.383285 -3.573100 -0.793861
C -0.610028 -2.629455 -0.178124
C 1.381154 -2.795193 -1.677778
C -2.305041 -0.634376 0.823120
C -1.843359 -2.378634 -0.795555
C -0.270196 -1.945920 1.003724
C -2.690343 -1.388137 -0.290471
C -1.106942 -0.946846 1.487377
C 2.107695 -0.505555 -0.949283
C 3.070776 0.232499 -0.069533
C 2.653187 1.017288 1.030163
C 4.430935 0.199806 -0.400234
C 3.585196 1.759240 1.784350
C -3.731632 1.746732 -1.145479
C 5.342836 0.932963 0.359099
C 4.933806 1.716577 1.445218
C 0.786876 1.864777 2.316976
C -4.185390 2.711910 -3.381636
H 0.919943 -4.147412 -0.012038
H -0.125805 -4.339252 -1.414986
H 2.018270 -3.513477 -2.241139
H 0.823733 -2.184105 -2.432820
H -2.136066 -2.930105 -1.687258
H 0.662011 -2.167525 1.518295
H -3.651276 -1.191113 -0.792111
H -0.813224 -0.387263 2.384860
H 2.811840 -2.332670 -0.160620
H -2.743039 2.825196 0.381882
H 4.773128 -0.390924 -1.254652
H 3.261500 2.365456 2.626842
H 5.667379 2.286983 2.018864
H -3.182559 3.690031 -1.778898
H -0.302052 1.655873 2.266917
H 0.987247 2.903040 2.044364
H 1.184217 1.606307 3.300590
H -4.807204 1.799642 -3.490886
H -4.802137 3.578392 -3.673683
H -3.331408 2.621970 -4.073259


%chk=000219108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219108

0 1
Cl 7.317447 0.529095 0.224356
S -3.348043 0.663365 1.275994
O -2.512694 1.446441 2.443888
O -4.868764 0.198544 1.544276
O 1.396447 1.109698 1.213886
O 1.408322 -0.127514 -1.587708
O -4.425305 0.734398 -1.694195
N 2.423493 -2.060558 -0.758682
N -3.290371 1.952455 -0.044499
N -4.133021 3.045308 -1.942133
C 0.506094 -3.727476 -0.742210
C -0.524106 -2.752474 -0.203912
C 1.621060 -2.995764 -1.558190
C -2.259570 -0.749762 0.650301
C -1.680222 -2.426929 -0.961322
C -0.293296 -2.078726 1.021485
C -2.576469 -1.420557 -0.540781
C -1.154974 -1.053181 1.459670
C 2.254434 -0.678072 -0.826215
C 3.224232 0.102679 0.037484
C 2.771960 1.057064 0.999830
C 4.612911 -0.053174 -0.181039
C 3.713902 1.852750 1.700555
C -3.992161 1.844044 -1.260866
C 5.530453 0.741374 0.532759
C 5.098434 1.698136 1.465730
C 0.875514 2.116698 2.151792
C -4.727108 3.093381 -3.283861
H 0.978049 -4.296026 0.082231
H 0.033988 -4.465111 -1.418539
H 2.288368 -3.751518 -2.014740
H 1.160086 -2.401743 -2.365958
H -1.876860 -2.947404 -1.905744
H 0.579943 -2.334704 1.630572
H -3.452542 -1.132051 -1.131235
H -0.965715 -0.496192 2.381153
H 3.088448 -2.432826 -0.077685
H -2.911268 2.827954 0.334586
H 4.969759 -0.766500 -0.930534
H 3.383227 2.591444 2.435463
H 5.822714 2.314751 2.005765
H -3.810732 3.914770 -1.517480
H -0.215019 1.965843 2.161788
H 1.118679 3.139074 1.804166
H 1.281922 1.961491 3.170418
H -5.041096 2.070112 -3.543116
H -5.614878 3.751698 -3.301474
H -3.997467 3.446096 -4.036228


