%chk=000206513.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206513

0 1
Cl 2.328121 -2.467975 -1.269347
Cl -2.482306 -3.493147 0.886898
S 2.262627 0.886369 1.961620
P 2.580559 1.113421 0.114047
O 1.570170 0.316754 -0.988692
O 2.206661 2.652548 -0.398319
N -2.368389 1.683095 -0.043748
C -0.903351 1.422242 0.144205
C -0.618842 -0.054923 0.038379
C -2.736235 1.617776 -1.499037
C -2.766942 2.994443 0.568696
C 0.608277 -0.535187 -0.466308
C -1.568184 -0.997084 0.463338
C -4.244675 1.415221 -1.645404
C -2.742228 2.893545 2.093851
C 0.854363 -1.915688 -0.583995
C 4.233639 0.674762 -0.619510
C -1.296104 -2.361322 0.357607
C -0.096478 -2.847509 -0.170281
C 5.277316 1.651554 -0.112847
H -0.607827 1.755903 1.174512
H -0.271382 2.002991 -0.565747
H -2.412268 2.516616 -2.066088
H -2.208060 0.748079 -1.952221
H -2.128909 3.839235 0.229895
H -3.804710 3.223646 0.234809
H -2.526500 -0.643603 0.866091
H -4.812567 2.294615 -1.321477
H -4.513255 1.204700 -2.685609
H -4.587246 0.570275 -1.031877
H -1.724013 2.756279 2.480579
H -3.155629 3.796100 2.554870
H -3.332767 2.035078 2.441320
H 4.497805 -0.372162 -0.344002
H 4.179539 0.670783 -1.728410
H 0.091987 -3.918803 -0.255289
H 6.258852 1.428182 -0.558272
H 5.055704 2.699151 -0.363722
H 5.422423 1.597730 0.978550
H 2.178425 2.790611 -1.383967


%chk=000206513-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206513

0 1
Cl 2.448516 -2.727251 -0.835807
Cl -2.765050 -3.567218 0.884045
S 2.542007 0.819059 2.143108
P 2.718125 1.112415 0.107586
O 1.601659 0.169001 -0.923569
O 2.396791 2.738285 -0.428251
N -2.347486 1.711139 -0.124245
C -0.914106 1.354443 -0.040034
C -0.671322 -0.153210 -0.045719
C -2.857714 1.596028 -1.521369
C -2.650095 3.020900 0.513413
C 0.597148 -0.672949 -0.417287
C -1.692520 -1.046088 0.350825
C -4.387912 1.447717 -1.602090
C -2.644039 2.956708 2.052670
C 0.819268 -2.070073 -0.373794
C 4.306069 0.798242 -0.809222
C -1.437346 -2.426664 0.373451
C -0.187838 -2.970741 0.016684
C 5.460693 1.676706 -0.295224
H -0.509751 1.750721 0.912669
H -0.312778 1.818230 -0.859636
H -2.524448 2.464720 -2.143596
H -2.393989 0.695236 -1.964584
H -1.945937 3.818071 0.160986
H -3.656798 3.328660 0.180319
H -2.662411 -0.622241 0.626266
H -4.918620 2.334119 -1.210185
H -4.700855 1.312989 -2.653874
H -4.719033 0.567684 -1.023348
H -1.656094 2.671937 2.458661
H -2.906309 3.942759 2.479167
H -3.379981 2.213105 2.404174
H 4.510442 -0.279204 -0.693416
H 4.072843 0.992723 -1.870733
H -0.001978 -4.046873 0.041190
H 6.384318 1.423444 -0.844964
H 5.246229 2.747037 -0.452368
H 5.646736 1.511740 0.780741
H 1.791166 3.232992 0.182455


