%chk=000180799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180799

0 1
Cl 1.008180 2.295520 1.784561
Cl 3.988582 1.876094 1.869863
S 5.276725 -0.954403 0.838939
F 5.828217 1.353553 -0.257152
F 5.416447 -0.165277 -1.650969
F 8.026987 -0.477003 0.691173
F 8.282722 0.656116 -1.070465
F -5.068009 -0.145713 -2.576196
F -5.638056 0.006130 2.074920
O -1.322281 -1.926320 -0.354448
O -4.128473 -2.212396 0.002763
N -0.612785 0.078188 0.600783
N -2.894652 -0.245355 0.040189
C 0.783914 -0.166321 0.630113
C 3.576681 -0.562142 0.724027
C 1.639207 0.824918 1.172303
C 1.358495 -1.354373 0.131569
C 3.025769 0.624623 1.216418
C 2.735260 -1.541422 0.173593
C 6.039759 0.045811 -0.475035
C -5.290714 -0.125487 -0.240932
C -1.581739 -0.824023 0.058230
C -4.101239 -1.015974 -0.067050
C 7.532645 -0.349306 -0.562464
C -5.760724 0.241615 -1.511446
C -6.052360 0.317779 0.851432
C -6.915150 1.005050 -1.703560
C -7.212259 1.082686 0.710579
C -7.638563 1.417137 -0.579624
H 0.718469 -2.141121 -0.293573
H 3.161622 -2.467757 -0.227827
H -0.939883 0.947326 1.037635
H -2.986423 0.775117 0.075242
H 7.723651 -1.286513 -1.140674
H -7.251090 1.268188 -2.707983
H -7.779914 1.406135 1.584504
H -8.548518 2.009019 -0.710536


%chk=000180799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180799

0 1
Cl 0.772735 2.593341 1.536870
Cl 3.973368 2.362094 1.750050
S 5.469893 -0.517287 1.107051
F 5.605692 1.060231 -1.140145
F 5.199171 -1.135090 -1.557962
F 8.218638 0.168760 0.011919
F 7.810203 -0.122760 -2.229812
F -4.027245 1.490438 -1.522456
F -6.647895 -1.495517 1.276238
O -1.300366 -2.100155 0.123152
O -4.178189 -2.220469 0.253982
N -0.587239 0.081586 0.683410
N -2.834498 -0.285980 0.207011
C 0.808137 -0.096487 0.764340
C 3.650238 -0.308117 0.948096
C 1.610806 1.017183 1.155086
C 1.460629 -1.326021 0.478579
C 3.013585 0.923597 1.249112
C 2.858936 -1.416353 0.572792
C 5.932885 -0.245873 -0.699264
C -5.263460 -0.087930 -0.140468
C -1.545479 -0.889955 0.322717
C -4.063021 -0.982907 0.115504
C 7.432751 -0.552113 -0.932689
C -5.262421 1.058664 -0.973110
C -6.538221 -0.420604 0.394927
C -6.397892 1.811652 -1.299385
C -7.711078 0.298717 0.110446
C -7.636757 1.415427 -0.749139
H 0.857369 -2.189047 0.194817
H 3.353147 -2.365658 0.350740
H -0.916685 1.014257 0.954753
H -2.871733 0.723931 0.041769
H 7.655267 -1.628655 -0.834372
H -6.305014 2.674896 -1.962905
H -8.653614 -0.019097 0.563180
H -8.542145 1.981403 -0.985931


