%chk=000213564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213564

0 1
Cl 6.500690 -2.798905 2.084011
S 4.146320 1.391675 -1.871034
O -4.851655 0.096353 1.575159
O -4.613083 -1.541688 -1.587094
O -7.093139 0.348585 1.851028
N -1.117181 -0.887323 0.005284
N -6.183152 -0.691906 -0.087626
N 2.612503 0.162922 0.522009
C -3.926057 -0.467886 0.562103
C -3.145942 -1.583123 1.249217
C -3.038751 0.678357 0.089568
C -1.994820 -2.055352 0.346761
C -1.886688 0.139487 -0.773466
C 0.098642 -1.328791 -0.756337
C -4.872497 -0.993369 -0.548562
C 1.159005 -1.863743 0.219776
C -6.179278 -0.039292 1.183513
C 1.666012 -0.782708 1.186243
C -7.424931 -1.007371 -0.820230
C 3.951819 -0.258509 0.331173
C 2.096506 1.374739 -0.025213
C 4.783199 0.298253 -0.666731
C 2.761172 2.073390 -1.051449
C 4.507879 -1.237894 1.187844
C 0.908471 1.934532 0.498386
C 6.124895 -0.058273 -0.784724
C 2.299538 3.308411 -1.507427
C 5.843802 -1.594356 1.029753
C 0.439663 3.158664 0.027144
C 6.674617 -1.023390 0.066125
C 1.132144 3.855416 -0.969556
H -3.802165 -2.430779 1.521031
H -2.744877 -1.192021 2.211406
H -2.634489 1.202673 0.984594
H -3.618613 1.438369 -0.466738
H -1.380860 -2.803807 0.893671
H -2.408206 -2.564712 -0.554257
H -2.288529 -0.255575 -1.734245
H -1.193914 0.975789 -1.022495
H -0.126476 -2.099009 -1.525313
H 0.521132 -0.456388 -1.306585
H 0.745103 -2.704381 0.811742
H 2.003193 -2.288597 -0.360962
H 2.174175 -1.252640 2.060279
H 0.797392 -0.212011 1.603847
H -7.990188 -0.084529 -1.041165
H -8.068192 -1.677818 -0.223036
H -7.176846 -1.509483 -1.774524
H 3.906948 -1.699188 1.972455
H 0.348535 1.399550 1.271288
H 6.755018 0.405516 -1.548343
H 2.843882 3.846483 -2.286422
H -0.473845 3.580155 0.447393
H 7.717841 -1.317925 -0.023112
H 0.766277 4.816625 -1.322259


%chk=000213564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213564

0 1
Cl 6.695971 -2.684973 1.207086
S 2.878911 1.243735 -2.186176
O -4.674656 0.661501 0.838428
O -4.363605 -2.084860 -1.507201
O -6.963483 1.158487 0.673305
N -0.935777 -1.221392 0.122651
N -5.947128 -0.575814 -0.601719
N 2.319107 0.167947 0.622375
C -3.737635 -0.336408 0.191611
C -3.122343 -1.206100 1.309223
C -2.642082 0.449938 -0.559936
C -1.960737 -2.072171 0.773982
C -1.503953 -0.479861 -1.031746
C 0.314620 -1.953526 -0.203199
C -4.665576 -1.129919 -0.749405
C 1.255696 -2.081328 1.017199
C -5.975759 0.488970 0.338683
C 1.618519 -0.696931 1.603611
C -7.141062 -1.030260 -1.322575
C 3.572539 -0.249296 0.093893
C 1.882300 1.518102 0.432188
C 4.021194 0.226688 -1.171635
C 2.116831 2.184562 -0.802202
C 4.418112 -1.136089 0.815850
C 1.223823 2.241471 1.463434
C 5.279090 -0.142509 -1.684130
C 1.714010 3.519005 -1.004412
C 5.649940 -1.522548 0.261015
C 0.781847 3.564755 1.248942
C 6.111331 -1.042747 -0.977387
C 1.024358 4.212233 0.016972
H -3.896601 -1.845540 1.771665
H -2.739338 -0.515230 2.082023
H -2.232046 1.196274 0.144645
H -3.077051 0.991063 -1.420095
H -1.498913 -2.603634 1.625763
H -2.356901 -2.845632 0.072045
H -1.882928 -1.168219 -1.824635
H -0.703994 0.140368 -1.474016
H 0.105659 -2.968639 -0.618729
H 0.844181 -1.385986 -0.990219
H 0.775294 -2.671087 1.822939
H 2.159779 -2.640371 0.712150
H 2.198029 -0.805928 2.543982
H 0.662813 -0.205039 1.843353
H -7.561548 -0.208699 -1.925925
H -7.909968 -1.377717 -0.612759
H -6.835361 -1.859729 -1.980106
H 4.125185 -1.509484 1.799423
H 1.067461 1.776136 2.440905
H 5.605705 0.253686 -2.650906
H 1.926190 4.006035 -1.962123
H 0.263803 4.094626 2.055593
H 7.076270 -1.356755 -1.382542
H 0.691877 5.242045 -0.147259


