%chk=000211642.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211642

0 1
Cl -4.766760 2.576185 -1.489193
S 0.776584 -0.761066 2.158962
S -2.085206 -0.531192 3.040007
O 0.127672 0.795830 -0.908185
O 4.757550 0.613041 0.393333
O 4.933928 -0.579830 -1.521923
N -1.197569 -0.554255 0.513958
C -0.017853 -0.535413 -0.429467
C 1.260458 -0.839393 0.393451
C 2.383408 0.151229 0.137144
C -0.241646 -1.501951 -1.584832
C -0.966301 -0.591612 1.866489
C -2.542264 -0.377440 -0.009067
C 3.670537 -0.238349 0.859976
C -2.955681 0.898409 -0.423476
C -3.392902 -1.489562 -0.107696
C -4.239134 1.023641 -0.956139
C -4.675622 -1.320675 -0.637185
C -5.107856 -0.064326 -1.074359
C 5.323227 0.334518 -0.834085
C 6.412572 1.313948 -1.092296
H 1.603186 -1.882733 0.180496
H 2.076006 1.185521 0.413862
H 2.577305 0.210597 -0.960529
H -0.365233 -2.538367 -1.240534
H -1.136363 -1.261510 -2.174307
H 0.614669 -1.484268 -2.276071
H 3.659372 0.004825 1.939603
H 3.952831 -1.293774 0.697678
H -0.564116 1.040136 -1.561986
H -2.309175 1.768868 -0.294764
H -3.064672 -2.467009 0.247229
H -5.348237 -2.177307 -0.706335
H -6.107636 0.067023 -1.488609
H 7.376358 0.798587 -1.231959
H 6.534015 2.036803 -0.268648
H 6.214649 1.885373 -2.013246


%chk=000211642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211642

0 1
Cl -5.315057 2.363042 -1.210975
S 0.719384 -0.247117 2.305348
S -2.254196 -0.381984 3.131909
O -0.033298 1.243439 -0.666000
O 4.873778 0.548507 0.363035
O 5.066408 -0.908308 -1.450056
N -1.258922 -0.470885 0.558894
C -0.097323 -0.192789 -0.346310
C 1.180317 -0.535607 0.472441
C 2.422681 0.263739 0.059467
C -0.181621 -1.021751 -1.639884
C -1.064397 -0.376676 1.934727
C -2.600046 -0.459620 0.010392
C 3.672578 -0.207509 0.819305
C -3.220830 0.782470 -0.269560
C -3.268383 -1.676674 -0.249760
C -4.507931 0.771662 -0.837329
C -4.564238 -1.653172 -0.809851
C -5.195524 -0.425396 -1.116654
C 5.486376 0.083192 -0.808302
C 6.691777 0.926076 -1.159668
H 1.365121 -1.621133 0.380314
H 2.245040 1.337802 0.226477
H 2.592583 0.114100 -1.023392
H -0.244424 -2.099552 -1.415610
H -1.071180 -0.746769 -2.235145
H 0.718683 -0.839032 -2.250596
H 3.613479 0.018277 1.896616
H 3.851836 -1.287424 0.662188
H -0.647427 1.436907 -1.420044
H -2.722787 1.719000 -0.003642
H -2.779500 -2.622759 0.000911
H -5.092205 -2.591422 -1.007935
H -6.198735 -0.400716 -1.551332
H 7.587137 0.282007 -1.203781
H 6.846629 1.728284 -0.424510
H 6.554320 1.362293 -2.164393


