%chk=000248191.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248191

0 1
Cl -0.033886 1.320678 0.895465
S 3.122042 3.314517 -1.285995
O -2.852203 -2.608583 1.608141
O -0.429160 -0.363329 -1.734234
O -1.967674 1.895532 -1.316838
C 3.944306 -1.700531 0.168789
C 3.243738 -2.458617 1.304889
C 5.252240 -1.054806 0.643462
C 1.895194 -3.048041 0.866418
C 6.012093 -0.354241 -0.491619
C 0.821327 -1.966155 0.703028
C 5.314663 0.899659 -1.036572
C -0.485417 -2.546646 0.140121
C 5.245936 2.030729 -0.002308
C -1.550366 -1.492829 0.038455
C 4.805602 3.360144 -0.595174
C -2.694825 -1.537314 0.765761
C -1.307154 -0.384668 -0.905421
C -3.768323 -0.524462 0.687461
C -3.556361 0.633543 -0.085620
C -2.268303 0.842233 -0.811287
C -4.984679 -0.690215 1.363111
C -4.554248 1.612878 -0.167632
C 2.097278 2.763778 0.117658
C -5.980446 0.287199 1.270659
C -5.766690 1.438357 0.507054
C 0.941170 2.004098 -0.478899
H 3.266725 -0.922508 -0.237984
H 4.144459 -2.388086 -0.674895
H 3.094577 -1.786649 2.172028
H 3.898210 -3.274954 1.666762
H 5.907438 -1.827914 1.091033
H 5.040865 -0.334671 1.456891
H 2.020228 -3.604229 -0.083016
H 1.562390 -3.796106 1.611624
H 6.165842 -1.067757 -1.326037
H 7.027735 -0.090324 -0.137008
H 0.627301 -1.468001 1.672255
H 1.191771 -1.167946 0.025348
H 4.292383 0.641713 -1.381345
H 5.850918 1.247535 -1.941139
H -0.302962 -2.974954 -0.869303
H -0.836165 -3.387243 0.775471
H 6.242064 2.162133 0.471173
H 4.567082 1.732531 0.825784
H 5.455912 3.660271 -1.443040
H 4.871796 4.168295 0.157032
H -5.157416 -1.586034 1.963161
H -4.369925 2.513882 -0.762669
H 2.694428 2.128710 0.806293
H 1.758001 3.639528 0.704004
H -3.706142 -2.566751 2.118269
H -6.925689 0.149598 1.797645
H -6.542356 2.201539 0.437994
H 0.241822 2.633157 -1.071610
H 1.243651 1.138425 -1.107992


%chk=000248191-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248191

0 1
Cl -0.141928 1.896249 1.057765
S 3.219634 3.265780 -1.698540
O -2.739910 -2.592139 1.646144
O -0.480535 -0.380049 -1.919394
O -2.473401 1.586358 -2.017276
C 3.982702 -1.733974 0.175350
C 3.222010 -2.667342 1.148639
C 5.269981 -1.141659 0.793582
C 1.872295 -3.188185 0.592409
C 6.157481 -0.356068 -0.205914
C 0.759137 -2.116469 0.587751
C 5.502723 0.888245 -0.857273
C -0.534385 -2.607600 -0.124096
C 5.085785 1.980746 0.153223
C -1.608304 -1.541598 -0.148798
C 4.699183 3.319600 -0.500536
C -2.675582 -1.535370 0.734026
C -1.463880 -0.445422 -1.113482
C -3.721332 -0.486792 0.769197
C -3.652309 0.596530 -0.158695
C -2.541872 0.668048 -1.155560
C -4.796110 -0.513719 1.695111
C -4.635616 1.610963 -0.148605
C 1.766694 3.282462 -0.474152
C -5.775189 0.504360 1.700872
C -5.698724 1.571968 0.777464
C 1.292199 1.858875 -0.225859
H 3.315387 -0.913904 -0.155917
H 4.244519 -2.303736 -0.740867
H 3.040944 -2.132938 2.105484
H 3.877930 -3.527750 1.394571
H 5.873417 -1.970497 1.218812
H 4.998941 -0.493409 1.652487
H 2.026183 -3.563068 -0.441303
H 1.532174 -4.056250 1.193556
H 6.475207 -1.047858 -1.013142
H 7.084836 -0.038016 0.314913
H 0.518758 -1.826306 1.629616
H 1.113620 -1.206904 0.070587
H 4.623478 0.595240 -1.461705
H 6.228339 1.330277 -1.571704
H -0.272077 -2.866770 -1.167465
H -0.911795 -3.514984 0.378382
H 5.938385 2.182699 0.838209
H 4.256660 1.622663 0.794720
H 5.522848 3.695587 -1.134779
H 4.466245 4.092619 0.253653
H -4.903555 -1.319170 2.434630
H -4.540883 2.421393 -0.878623
H 2.105925 3.775992 0.451733
H 0.975769 3.892120 -0.938686
H -3.525568 -2.526424 2.243115
H -6.594843 0.462469 2.425656
H -6.457551 2.360622 0.783387
H 0.859630 1.377705 -1.116271
H 2.057130 1.220898 0.239199


