%chk=000180839.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180839

0 1
Cl 3.162775 2.506922 0.315275
Cl 0.562174 -2.823562 -1.516787
S 4.952877 0.163742 -1.068136
F 5.521157 -1.353958 0.975041
F 4.951686 0.603855 1.505957
F 7.784254 -0.081387 1.795250
F 7.868346 -0.187455 -0.309736
F -5.476362 -1.716401 2.109838
F -5.858972 1.576308 -1.205033
O 5.370194 -0.952156 -1.876146
O 5.312205 1.515313 -1.408385
O -1.507774 1.463846 0.761821
O -4.140568 1.384769 1.761129
N -0.927049 -0.536901 -0.283350
N -3.202032 -0.035219 0.179846
C 3.256539 0.025619 -0.778863
C 5.700048 -0.070515 0.602833
C 2.463435 1.027096 -0.208053
C 2.631898 -1.167756 -1.179007
C 7.165235 0.394692 0.690601
C 0.459436 -0.319145 -0.426401
C 1.264884 -1.341732 -1.007256
C 1.089816 0.873518 -0.027360
C -1.848795 0.413778 0.281475
C -5.598588 -0.032921 0.481595
C -4.293272 0.553672 0.912486
C -6.171811 -1.132285 1.140094
C -6.364739 0.540562 -0.545533
C -7.427603 -1.646462 0.810760
C -7.625390 0.062211 -0.910985
C -8.151093 -1.033621 -0.218471
H 3.229330 -1.973215 -1.640284
H 7.286416 1.506879 0.638634
H 0.503877 1.686481 0.433389
H -1.285545 -1.455366 -0.571571
H -3.426564 -0.802011 -0.462855
H -7.841981 -2.501077 1.348439
H -8.193244 0.537126 -1.713169
H -9.139901 -1.417048 -0.485278


%chk=000180839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180839

0 1
Cl 3.443082 1.870944 1.458073
Cl 0.207719 -1.490171 -2.968244
S 5.104511 0.376450 -1.167352
F 6.474900 -1.888292 -0.170764
F 4.864561 -1.127264 1.244603
F 7.321194 -0.520774 2.375322
F 8.108539 0.244093 0.354065
F -6.521409 0.851417 2.528832
F -4.865323 -1.247187 -1.537651
O 5.368403 -0.463116 -2.534473
O 5.661691 1.892309 -0.968294
O -1.494418 1.333634 1.241538
O -4.343823 1.833929 1.189657
N -0.981574 -0.001213 -0.636388
N -3.179855 0.084159 0.134335
C 3.233006 0.277779 -0.860086
C 5.929928 -0.752287 0.410992
C 2.560015 0.931139 0.187097
C 2.526381 -0.464959 -1.824304
C 6.950259 0.126659 1.159688
C 0.416860 0.118817 -0.673118
C 1.135208 -0.533735 -1.719660
C 1.161332 0.862768 0.285079
C -1.853377 0.556131 0.329380
C -5.615866 -0.109762 0.487044
C -4.346654 0.706412 0.649535
C -6.690019 0.041637 1.408722
C -5.889534 -1.003969 -0.577813
C -7.926636 -0.612214 1.272782
C -7.100796 -1.677885 -0.771587
C -8.131748 -1.469417 0.171590
H 3.074616 -0.958545 -2.634349
H 6.554923 1.129829 1.387947
H 0.626189 1.376516 1.086421
H -1.389626 -0.517132 -1.424121
H -3.321636 -0.755370 -0.435558
H -8.700841 -0.445533 2.025913
H -7.223877 -2.339496 -1.632364
H -9.091004 -1.980103 0.049314


