%chk=000215033.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215033

0 1
Cl 3.869409 4.870612 1.013444
S 2.011608 -0.440146 -1.657065
N -3.150419 0.751412 -0.049343
N -0.312833 0.378649 0.486220
C -5.539497 0.162676 0.084109
C -6.889716 -0.208249 -0.508580
C -6.039596 -1.272132 0.158780
C -4.401794 0.536149 -0.850187
C -2.615736 -0.546496 0.478490
C -2.099018 1.411072 -0.893201
C -1.365659 -0.273134 1.337772
C -0.847600 1.682615 -0.034416
C 0.958522 0.575055 1.266539
C 1.625169 -0.776690 1.633947
C 1.961145 1.395293 0.476810
C 1.360067 -1.910624 0.689208
C 2.507757 0.961701 -0.734142
C 2.393191 2.618747 1.021049
C 1.502873 -1.818982 -0.696465
C 0.959576 -3.146676 1.240809
C 3.483101 1.723426 -1.401236
C 3.350703 3.367319 0.341666
C 1.237899 -2.924448 -1.525148
C 3.908966 2.938580 -0.866982
C 0.704422 -4.247089 0.426949
C 0.840109 -4.135244 -0.963496
H -5.524294 0.750065 1.013465
H -7.022038 -0.229735 -1.587076
H -7.798741 0.136187 -0.021944
H -6.348060 -1.681134 1.117342
H -5.573181 -2.041571 -0.450816
H -4.660720 1.497696 -1.350909
H -4.280639 -0.218466 -1.657043
H -2.361768 -1.269087 -0.328273
H -3.400036 -1.016329 1.109927
H -2.501414 2.377908 -1.262916
H -1.812787 0.804475 -1.780996
H -1.645502 0.342677 2.220145
H -0.973653 -1.241927 1.713548
H -0.074580 2.158083 -0.676417
H -1.096906 2.399930 0.777275
H 0.748545 1.108879 2.237320
H 1.304248 -1.054089 2.660279
H 2.726494 -0.630389 1.716185
H 1.981397 2.981463 1.963177
H 0.849136 -3.242217 2.319778
H 3.917383 1.369804 -2.340564
H 1.342264 -2.845951 -2.609600
H 4.662324 3.539334 -1.375833
H 0.398599 -5.193815 0.868255
H 0.636681 -4.992388 -1.602236


%chk=000215033-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215033

0 1
Cl 4.106068 4.856212 1.127688
S 1.862126 -0.432955 -1.806452
N -3.200801 0.812644 -0.031895
N -0.361095 0.461588 0.515608
C -5.632488 0.204064 0.082166
C -6.915792 -0.302546 -0.592172
C -6.024109 -1.280817 0.187810
C -4.466663 0.653677 -0.788599
C -2.667638 -0.467621 0.491380
C -2.161145 1.502870 -0.833675
C -1.397630 -0.230799 1.323399
C -0.897500 1.748575 0.004269
C 0.931560 0.601122 1.234591
C 1.531901 -0.787773 1.638534
C 1.961359 1.401783 0.439768
C 1.343636 -1.948703 0.668480
C 2.473713 0.982096 -0.817075
C 2.485315 2.584255 1.019206
C 1.495481 -1.892081 -0.742618
C 1.022695 -3.214338 1.235812
C 3.466288 1.751286 -1.475639
C 3.466132 3.335335 0.348339
C 1.321510 -3.059361 -1.534070
C 3.967293 2.940065 -0.904867
C 0.853514 -4.377902 0.459759
C 1.001217 -4.296330 -0.943286
H -5.757013 0.808259 0.988278
H -6.919189 -0.379061 -1.684862
H -7.879155 -0.017519 -0.160035
H -6.386231 -1.658826 1.148684
H -5.437627 -2.003309 -0.389810
H -4.708951 1.641296 -1.229635
H -4.352299 -0.064776 -1.644969
H -2.419724 -1.175470 -0.341334
H -3.435599 -0.942011 1.126010
H -2.564785 2.474405 -1.176441
H -1.873555 0.906886 -1.737091
H -1.663851 0.367712 2.232686
H -1.011723 -1.210326 1.651920
H -0.135240 2.231184 -0.631055
H -1.146556 2.448429 0.842471
H 0.781353 1.160757 2.197204
H 1.097482 -1.091080 2.608627
H 2.610983 -0.628837 1.831952
H 2.109136 2.916823 1.992157
H 0.905627 -3.274415 2.325492
H 3.860974 1.410544 -2.438540
H 1.447021 -2.994841 -2.621284
H 4.735034 3.527113 -1.416385
H 0.609641 -5.331167 0.940343
H 0.874700 -5.183317 -1.573242


