%chk=000179952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179952

0 1
Cl 4.102238 -1.830333 -0.538244
Cl -2.454709 0.082421 2.963671
Cl 2.423240 3.893701 1.182774
Cl -4.008661 1.604990 -2.846710
Cl 5.256305 3.390086 0.024325
Cl -6.071359 1.936789 -0.554844
S -0.532827 -2.988509 0.548118
P 0.107864 -1.196426 -0.195708
O 1.554922 -1.123772 0.623222
O -0.715318 -0.070634 0.734570
O 0.112579 -0.951045 -1.646646
C -0.118908 -4.184626 -0.853852
C 1.379626 -4.352353 -0.926098
C -0.860711 -5.436718 -0.440405
C 2.356161 -0.011949 0.431608
C -1.964663 0.344802 0.322955
C 3.646494 -0.248077 -0.083740
C -2.899523 0.498705 1.370644
C 1.961615 1.269291 0.837905
C -2.291724 0.690061 -0.993854
C 2.875391 2.316071 0.701848
C -3.575232 1.180121 -1.247576
C 4.553807 0.805087 -0.209780
C -4.174411 0.997169 1.104154
C 4.158397 2.088708 0.181123
C -4.508619 1.332847 -0.212625
H -0.531138 -3.770322 -1.805888
H 1.648435 -5.229756 -1.534228
H 1.890201 -3.495439 -1.391018
H 1.845240 -4.504283 0.059462
H -0.737009 -6.228406 -1.195513
H -1.943336 -5.273622 -0.334322
H -0.499079 -5.855423 0.510295
H 0.966000 1.443945 1.265470
H -1.569280 0.584877 -1.817954
H 5.556695 0.629933 -0.609483
H -4.902002 1.121791 1.911242


%chk=000179952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179952

0 1
Cl 4.235108 -1.575106 -0.936108
Cl -2.355657 0.546489 3.055239
Cl 2.575958 4.026317 1.740769
Cl -4.181938 1.087326 -3.078498
Cl 5.419234 3.722894 0.111432
Cl -6.271231 1.817154 -0.642796
S -0.512326 -3.172187 0.774746
P 0.233585 -1.276435 -0.148583
O 1.732229 -1.011992 0.719587
O -0.656619 0.031125 0.649509
O 0.260728 -1.191464 -1.736279
C -0.220204 -4.317136 -0.777932
C 1.274979 -4.606357 -0.955494
C -1.074396 -5.568751 -0.515837
C 2.545298 0.123793 0.513887
C -1.970081 0.387047 0.290389
C 3.768614 -0.000298 -0.186314
C -2.874674 0.701731 1.333471
C 2.192529 1.359308 1.099394
C -2.380085 0.516422 -1.056683
C 3.058607 2.461722 0.979860
C -3.690013 0.943259 -1.346649
C 4.638487 1.099518 -0.301429
C -4.177658 1.141669 1.040928
C 4.280964 2.332448 0.282259
C -4.587849 1.258443 -0.303349
H -0.615930 -3.735104 -1.627735
H 1.412782 -5.272315 -1.829297
H 1.854383 -3.685556 -1.140548
H 1.691759 -5.109202 -0.065489
H -0.970204 -6.254470 -1.377413
H -2.143637 -5.322686 -0.399464
H -0.734109 -6.109339 0.385777
H 1.245494 1.440144 1.639470
H -1.680345 0.282188 -1.864771
H 5.584005 1.002604 -0.840507
H -4.871086 1.386499 1.849354


