%chk=000186837.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186837

0 1
Cl 0.240107 2.584217 -0.966332
Cl -0.242858 -0.262040 2.945718
Cl 3.947461 -2.063089 0.829942
Cl -3.961854 0.086623 -2.016169
S 5.203497 0.732807 -0.623533
S -5.222131 -0.314813 1.113125
C 0.725091 0.154770 0.115094
C -0.731655 0.021439 0.301867
C 1.279908 1.309901 -0.465995
C -1.285018 -0.175130 1.580434
C 1.591728 -0.869390 0.515919
C -1.600279 0.089393 -0.794204
C 3.516966 0.423022 -0.239843
C -3.523785 -0.230929 0.670784
C 2.974025 -0.732526 0.328277
C -2.983611 -0.031851 -0.602543
C 2.655257 1.457697 -0.636738
C -2.658865 -0.305433 1.774307
C 6.160172 0.062084 0.749357
C -6.040348 -1.242531 -0.197968
H 1.188021 -1.778596 0.971181
H -1.198140 0.245041 -1.799844
H 3.054203 2.379757 -1.073218
H -3.053891 -0.466991 2.783127
H 7.064459 0.678183 0.857151
H 6.470068 -0.972866 0.556673
H 5.619638 0.092024 1.702650
H -5.388080 -1.988236 -0.666837
H -6.429209 -0.577823 -0.979938
H -6.889474 -1.775813 0.253357


%chk=000186837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186837

0 1
Cl 0.464779 2.926035 -0.703567
Cl -0.308725 -0.417129 3.045376
Cl 3.822543 -2.447262 0.376584
Cl -4.072928 0.628648 -2.058217
S 5.344375 0.339841 -0.823197
S -5.417417 -0.116560 0.969037
C 0.719150 0.227808 0.090795
C -0.754749 0.155352 0.315623
C 1.382336 1.378768 -0.404398
C -1.343902 -0.161367 1.565301
C 1.521300 -0.918549 0.334466
C -1.640467 0.375441 -0.772548
C 3.562009 0.252310 -0.399351
C -3.613644 -0.050491 0.641030
C 2.903732 -0.904521 0.084420
C -3.032516 0.283112 -0.606671
C 2.770167 1.402559 -0.636887
C -2.737170 -0.269328 1.732066
C 6.135713 0.147554 0.886999
C -5.924892 -1.606379 -0.084364
H 1.049251 -1.831616 0.706588
H -1.228789 0.626564 -1.753552
H 3.253093 2.315751 -0.993860
H -3.157234 -0.523618 2.708490
H 7.219352 0.249290 0.718990
H 5.908615 -0.845663 1.299433
H 5.779019 0.946000 1.553801
H -5.373800 -2.499850 0.243582
H -5.744818 -1.395828 -1.148080
H -7.002980 -1.737973 0.097912


