%chk=000180798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180798

0 1
Cl 0.910651 3.303526 -0.103226
Cl 3.577181 -2.239762 -0.984674
S 5.388450 0.481635 -0.806709
F 5.520778 -1.440440 0.959897
F 5.461678 0.482761 1.807076
F 7.998230 -0.449621 -0.448770
F 8.092021 -1.024603 1.579510
F -5.543293 1.411076 -1.867244
F -5.089372 -1.589858 1.706230
O -1.172792 -1.494182 -0.826458
O -3.948592 -1.563769 -1.533890
N -0.579538 0.724465 -0.426387
N -2.844836 0.040265 -0.270445
C 0.830167 0.601054 -0.503414
C 3.649474 0.458943 -0.628121
C 1.633891 1.764192 -0.359605
C 1.473439 -0.633553 -0.704085
C 2.867379 -0.696169 -0.760994
C 3.023017 1.693389 -0.415357
C 5.990073 -0.197349 0.770323
C -5.250430 -0.124949 -0.119112
C -1.496947 -0.367678 -0.549192
C -4.001529 -0.671567 -0.734864
C 7.533343 -0.093721 0.771637
C -6.009929 0.876470 -0.743678
C -5.777087 -0.647190 1.072476
C -7.220668 1.345899 -0.229987
C -6.983791 -0.210639 1.625655
C -7.702351 0.787208 0.959235
H 0.882191 -1.556601 -0.822289
H 3.618828 2.605782 -0.292206
H -0.956516 1.673583 -0.325468
H -2.999219 0.862798 0.321485
H 7.922679 0.918069 1.043134
H -7.784811 2.123888 -0.746654
H -7.362989 -0.643613 2.552885
H -8.652379 1.136061 1.372987


%chk=000180798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180798

0 1
Cl 0.832941 3.052403 -0.578542
Cl 3.646438 -2.703996 -1.036203
S 5.511102 0.062491 -1.081687
F 5.489279 -0.796997 1.528879
F 5.371694 1.458759 1.282280
F 8.173193 -0.613951 0.213484
F 7.846926 0.362279 2.267642
F -4.335027 2.128308 -0.045652
F -6.315361 -2.294610 0.358068
O -1.264868 -1.867378 -0.762021
O -4.130806 -1.809533 -1.258263
N -0.565559 0.381082 -0.592937
N -2.811526 -0.139157 -0.256675
C 0.830796 0.241692 -0.704417
C 3.683537 0.104479 -0.898286
C 1.640232 1.413740 -0.707218
C 1.487998 -1.013065 -0.816977
C 2.889970 -1.067844 -0.905270
C 3.034011 1.359003 -0.806294
C 5.971009 0.269554 0.733617
C -5.254192 -0.126159 0.079768
C -1.519630 -0.657897 -0.567623
C -4.037463 -0.785537 -0.546014
C 7.501593 0.440810 0.895034
C -5.422084 1.267014 0.272711
C -6.383397 -0.906342 0.453257
C -6.586467 1.876604 0.755440
C -7.576870 -0.354991 0.950199
C -7.677135 1.045015 1.093490
H 0.887899 -1.924228 -0.840468
H 3.623171 2.278548 -0.807106
H -0.899340 1.351119 -0.572738
H -2.869895 0.777999 0.195488
H 7.853707 1.406612 0.493202
H -6.628706 2.963525 0.859114
H -8.399209 -1.022685 1.219151
H -8.601560 1.489133 1.473266


