%chk=000105917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000105917

0 1
Cl 8.039866 0.907907 -1.560814
S -0.506761 -3.564137 0.033413
S 3.338621 -1.602574 -1.167816
O -2.062940 2.900496 0.754624
O -5.377133 -1.134186 -0.513491
O -0.282486 -3.437774 -1.600745
O 0.835470 -3.527924 0.596183
O -1.388698 -4.686240 0.223262
O 3.503459 -2.678051 0.083399
O 4.624676 -1.566270 -1.824474
O 2.137953 -2.049226 -1.862453
O 6.395315 1.688583 1.607727
N -0.035436 1.269058 1.256563
N -3.489537 -2.903985 -0.288226
N 5.408905 0.400569 -0.042592
C -2.310498 0.552170 0.467155
C -3.180298 -0.502504 0.102957
C -0.990207 0.280482 0.864921
C -2.691816 -1.853468 0.055615
C -1.318653 -2.094123 0.392069
C -2.793184 1.976637 0.433881
C -4.190778 2.241025 0.004307
C -5.055038 1.181529 -0.313075
C -4.585876 -0.235316 -0.252747
C -0.558421 -1.075122 0.921466
C 1.311347 1.140982 0.787177
C -4.646612 3.563140 -0.070367
C -6.372709 1.448162 -0.700173
C 1.694679 0.202806 -0.167358
C 3.052448 -0.126626 -0.353836
C 2.320374 1.932744 1.413186
C 4.042956 0.665008 0.241545
C -5.965364 3.826004 -0.461502
C -6.825965 2.771785 -0.774123
C 3.649496 1.718637 1.120116
C 6.510578 0.942082 0.660089
C 7.860573 0.475721 0.143936
H 0.428740 -1.299696 1.364915
H -0.392907 2.238314 1.337045
H -3.964735 4.381926 0.180433
H -7.039593 0.613822 -0.943040
H 0.945919 -0.303212 -0.790369
H -3.168885 -3.876929 -0.246213
H -4.478812 -2.761365 -0.532166
H 2.031324 2.706786 2.128909
H -6.317601 4.856838 -0.519880
H -7.854257 2.975289 -1.077198
H 4.422121 2.344141 1.590534
H 5.611959 -0.229376 -0.861658
H 0.620232 -3.121894 -1.919910
H 2.696984 -3.228890 0.319753
H 7.990505 -0.622030 0.259456
H 8.671798 0.966977 0.728392


%chk=000105917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105917

0 1
Cl 8.135019 -0.878843 -0.880656
S -0.400659 -3.578714 -0.007226
S 3.468963 -1.716679 -1.269071
O -2.116712 3.034509 0.612710
O -5.487185 -1.198881 -0.523975
O -0.062334 -3.578009 -1.775384
O 1.031373 -3.415125 0.772971
O -1.371698 -4.837830 0.252457
O 3.562525 -2.860966 0.117370
O 4.934879 -1.724517 -1.940316
O 2.124049 -2.085796 -2.129105
O 6.491422 1.829463 1.660840
N -0.047313 1.475829 0.686247
N -3.519633 -2.885645 -0.377007
N 5.530609 0.332462 0.110428
C -2.369979 0.653475 0.299464
C -3.245399 -0.462513 0.024785
C -0.972824 0.436493 0.541178
C -2.733303 -1.819210 -0.059652
C -1.336445 -1.957468 0.246119
C -2.893807 2.035912 0.341350
C -4.332271 2.260081 0.084153
C -5.196639 1.160371 -0.187369
C -4.678158 -0.232275 -0.237430
C -0.516259 -0.912083 0.613470
C 1.340915 1.298749 0.478232
C -4.854960 3.578716 0.117507
C -6.574650 1.394631 -0.423878
C 1.799608 0.282017 -0.396662
C 3.152089 -0.051259 -0.433362
C 2.326029 2.075215 1.145667
C 4.168398 0.689848 0.227696
C -6.223986 3.801546 -0.119310
C -7.085872 2.706110 -0.390483
C 3.699441 1.803778 0.993969
C 6.589491 0.899878 0.804618
C 7.992293 0.352033 0.535956
H 0.498590 -1.137530 0.946604
H -0.495470 2.412156 0.794605
H -4.167973 4.403045 0.330723
H -7.216144 0.533388 -0.632248
H 1.108062 -0.268241 -1.038744
H -3.142143 -3.838275 -0.344475
H -4.515832 -2.670656 -0.561333
H 2.015687 2.887863 1.810930
H -6.625676 4.819850 -0.094481
H -8.150962 2.882162 -0.574137
H 4.441616 2.408366 1.518546
H 5.768472 -0.404773 -0.579403
H 0.834115 -3.085826 -1.942453
H 2.606302 -3.182646 0.347940
H 8.355483 -0.166780 1.436194
H 8.659953 1.191296 0.294231


