%chk=000210845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210845

0 1
Cl 0.996492 -5.002661 -1.401673
S 4.411500 -0.468209 1.178936
O -6.367558 0.599896 0.789006
O -7.196952 -1.022636 -0.554944
N 0.922093 0.518833 -1.439793
N -1.973683 0.570403 -1.332609
C 2.322359 -0.022931 -1.469861
C 0.097729 0.045792 -2.600297
C 0.188955 0.252208 -0.161458
C -1.238438 0.816935 -2.616766
C -1.138113 1.035929 -0.176822
C 3.264976 1.139540 -1.082729
C 2.507536 -1.344317 -0.729498
C -3.310489 1.250598 -1.345673
C 3.037097 1.701834 0.285928
C -4.226553 0.546423 -0.332071
C 3.315530 -1.596235 0.381929
C 1.784280 -2.432618 -1.271591
C 3.498934 1.009629 1.411667
C 2.369815 2.923306 0.477132
C -5.614743 1.176439 -0.321443
C 3.404447 -2.881030 0.950306
C 1.888971 -3.698020 -0.708431
C 3.320466 1.501596 2.705120
C 2.696811 -3.948585 0.406102
C 2.192450 3.429553 1.766677
C 2.667586 2.725172 2.880171
C -7.113892 -0.534702 0.546501
C -7.748612 -0.970641 1.820808
H 2.581674 -0.251052 -2.548963
H -0.103625 -1.051151 -2.567336
H 0.649829 0.257669 -3.540154
H 0.814070 0.596380 0.690365
H -0.020537 -0.829288 -0.001269
H -1.042705 1.895390 -2.803192
H -1.863609 0.438692 -3.454149
H -1.695277 0.829016 0.762238
H -0.928722 2.127448 -0.205365
H 4.321624 0.809909 -1.197569
H 3.127927 1.942214 -1.843051
H -3.752668 1.156217 -2.362534
H -3.248806 2.337767 -1.125252
H -3.788655 0.578337 0.685559
H -4.295807 -0.534717 -0.581047
H 1.128207 -2.278371 -2.134736
H 1.980728 3.465107 -0.383966
H -5.608275 2.247638 -0.053503
H -6.167651 1.012516 -1.263978
H 4.031811 -3.052109 1.830475
H 3.684218 0.943382 3.568488
H 2.763562 -4.947447 0.835209
H 1.679151 4.380140 1.908072
H 2.525996 3.128044 3.880810
H -8.842538 -1.033362 1.710477
H -7.393712 -1.973527 2.107318
H -7.530007 -0.286444 2.656128


%chk=000210845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210845

0 1
Cl 1.594932 -5.303339 -1.804039
S 4.425244 -0.412130 1.344469
O -6.489738 0.801704 0.908528
O -7.280913 -0.791945 -0.605515
N 0.910006 0.288305 -1.393147
N -1.967459 0.535664 -1.234495
C 2.353513 -0.094212 -1.490712
C 0.057227 0.005386 -2.569060
C 0.192193 -0.035969 -0.137757
C -1.229969 0.846742 -2.484198
C -1.104451 0.786813 -0.051046
C 3.262701 1.114468 -1.112093
C 2.683918 -1.439949 -0.805156
C -3.269196 1.241665 -1.168581
C 2.965826 1.742318 0.231325
C -4.229610 0.633177 -0.123321
C 3.439076 -1.656002 0.384132
C 2.128901 -2.587962 -1.442546
C 3.396942 1.113245 1.426073
C 2.243367 2.956106 0.344071
C -5.587393 1.348616 -0.147778
C 3.610314 -2.971140 0.894964
C 2.321244 -3.876527 -0.927084
C 3.137679 1.675168 2.695844
C 3.061795 -4.095569 0.249067
C 1.980310 3.534733 1.606694
C 2.431208 2.896735 2.785365
C -7.279263 -0.297981 0.544603
C -8.089032 -0.777258 1.729794
H 2.539301 -0.265792 -2.570182
H -0.242375 -1.070016 -2.634378
H 0.607577 0.272002 -3.490886
H 0.832390 0.205057 0.726313
H -0.070272 -1.119085 -0.081980
H -0.949531 1.929965 -2.542625
H -1.880678 0.609537 -3.346954
H -1.648882 0.494985 0.864447
H -0.838149 1.871651 0.032951
H 4.320526 0.780736 -1.142317
H 3.120006 1.870418 -1.904327
H -3.740723 1.160748 -2.168047
H -3.133689 2.337035 -0.961613
H -3.806013 0.713145 0.894758
H -4.365132 -0.439032 -0.350638
H 1.554087 -2.457673 -2.364293
H 1.891685 3.446109 -0.570378
H -5.494984 2.416799 0.111593
H -6.081857 1.234133 -1.129768
H 4.180561 -3.112442 1.819067
H 3.477849 1.159290 3.599572
H 3.202602 -5.101564 0.653374
H 1.427490 4.478477 1.671749
H 2.230243 3.338819 3.767305
H -8.897690 -1.437389 1.383697
H -7.436157 -1.343558 2.418520
H -8.502360 0.076680 2.290339


