%chk=000180832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180832

0 1
Cl 8.493330 -1.752400 -0.157828
S 5.340274 1.200894 -0.056123
F 5.823689 -1.171266 -1.053069
F 5.788343 -1.140307 1.048175
F 8.056648 0.656756 -0.960935
F -5.350092 1.536867 -0.323729
F -4.506893 -3.057242 0.081356
O -0.974221 0.185778 2.325175
O -2.786918 -0.474050 -1.330142
N -0.511993 0.057099 0.033084
N -2.729280 -0.261339 0.954935
C 1.576871 0.337931 -1.206086
C 0.895884 0.308769 0.046198
C 2.952824 0.583022 -1.211602
C 3.635545 0.795120 -0.009688
C 1.598992 0.520550 1.244003
C 2.973575 0.760987 1.217042
C 0.863332 0.112800 -2.498461
C 6.182152 -0.405190 -0.008521
C -1.320134 0.014976 1.171884
C -4.847296 -0.746145 -0.130920
C -3.385580 -0.490470 -0.272219
C 7.699140 -0.172252 0.054721
C -5.792050 0.290475 -0.198397
C -5.363391 -2.044695 0.007498
C -7.169369 0.069742 -0.128556
C -6.731663 -2.315098 0.081719
C -7.629277 -1.244450 0.008901
H 3.493617 0.606783 -2.161684
H 1.076909 0.495976 2.208926
H 3.513064 0.918688 2.153717
H 1.538771 0.170132 -3.364534
H 0.395463 -0.883220 -2.540281
H 0.076882 0.863709 -2.670298
H -0.952175 -0.109098 -0.898692
H -3.275643 -0.282921 1.831253
H 8.046093 0.290222 1.013215
H -7.873301 0.901789 -0.184897
H -7.094946 -3.338629 0.188972
H -8.704373 -1.437192 0.060690


%chk=000180832-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180832

0 1
Cl 8.445043 -1.985183 0.209646
S 5.432727 1.335938 -0.412885
F 5.783532 -1.297424 -1.096588
F 5.610558 -0.925212 1.139062
F 8.239309 0.401722 -1.008564
F -5.250770 1.093556 1.384709
F -4.487851 -2.748319 -1.488243
O -1.046563 0.909056 2.353562
O -2.627365 -0.730820 -1.200105
N -0.510711 0.192578 0.153341
N -2.722382 0.036851 1.003261
C 1.529790 0.139746 -1.163125
C 0.881243 0.458900 0.075058
C 2.912674 0.397879 -1.277497
C 3.640455 0.944921 -0.197427
C 1.615357 1.015391 1.156167
C 2.996788 1.254227 1.018306
C 0.760194 -0.459889 -2.326213
C 6.145405 -0.376044 -0.071390
C -1.344951 0.421227 1.228682
C -4.776216 -0.786462 -0.082066
C -3.302106 -0.491384 -0.146483
C 7.675791 -0.299494 0.101883
C -5.722241 0.000673 0.622804
C -5.334941 -1.876190 -0.805140
C -7.105040 -0.223197 0.613111
C -6.711513 -2.152649 -0.845728
C -7.597762 -1.314191 -0.136283
H 3.427233 0.166012 -2.215121
H 1.100366 1.249968 2.089250
H 3.565511 1.673670 1.853154
H 1.427373 -0.632388 -3.185767
H 0.302799 -1.433433 -2.063245
H -0.059829 0.200065 -2.670334
H -0.985957 -0.216945 -0.674700
H -3.316381 0.262713 1.806952
H 7.936562 0.231260 1.029239
H -7.764864 0.441427 1.176011
H -7.065630 -3.012203 -1.420266
H -8.672834 -1.513249 -0.162227


