%chk=000180852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180852

0 1
Cl 7.742277 0.861780 2.188650
S 5.011632 -0.109760 -1.148821
F 4.984353 1.072276 1.192532
F 5.650353 -0.923972 1.260136
F 7.985442 -0.163418 -0.159136
F -5.316158 -1.122384 2.286473
F -5.825101 1.426385 -1.615628
O 5.514502 -1.385868 -1.586116
O 5.333023 1.104461 -1.865285
O -1.462779 1.711727 -0.238774
O -3.973783 1.825421 1.235257
N -0.821929 -0.528224 -0.125945
N -3.112830 0.073153 -0.012974
C 3.331223 -0.208757 -0.840178
C 5.758220 0.194625 0.514284
C 1.387465 -1.568066 -0.282134
C 2.754595 -1.448458 -0.529063
C 0.575639 -0.396309 -0.360179
C 2.525804 0.931857 -0.921068
C 1.157457 0.843697 -0.680345
C 7.192870 0.723962 0.498110
C 0.817098 -2.908261 0.053120
C -1.757558 0.549491 -0.125929
C -5.499541 0.193842 0.353878
C -4.167253 0.830788 0.592792
C -6.051951 -0.734621 1.249546
C -6.307863 0.559069 -0.733825
C -7.327386 -1.280341 1.091302
C -7.590145 0.040952 -0.935355
C -8.093356 -0.877607 -0.008712
H 3.388317 -2.344391 -0.487259
H 2.965086 1.903655 -1.180962
H 0.542175 1.751937 -0.736175
H 7.295835 1.717877 -0.011960
H 1.591565 -3.691246 0.083390
H 0.343643 -2.915436 1.045659
H 0.082333 -3.239713 -0.694110
H -1.152210 -1.462817 0.131675
H -3.351846 -0.828276 -0.436293
H -7.724495 -1.996712 1.812033
H -8.190611 0.352208 -1.791920
H -9.097812 -1.287327 -0.145395


%chk=000180852-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180852

0 1
Cl 8.087584 1.420238 2.038488
S 5.113696 -0.319167 -1.159033
F 5.091582 0.855054 1.403690
F 6.187656 -1.154459 1.344284
F 8.219732 -0.041346 -0.226243
F -5.115745 -1.252707 2.143509
F -6.034315 1.555219 -1.662872
O 5.521928 -1.829451 -1.610808
O 5.501143 1.022195 -2.015067
O -1.471099 1.912556 -0.115980
O -4.184332 2.034990 1.042479
N -0.851407 -0.368386 -0.058817
N -3.113469 0.204062 0.009120
C 3.279065 -0.290145 -0.773686
C 6.023213 0.068028 0.699869
C 1.269078 -1.543424 -0.247735
C 2.657832 -1.518158 -0.492121
C 0.545732 -0.304233 -0.295570
C 2.592943 0.932118 -0.831683
C 1.206686 0.922029 -0.584934
C 7.318231 0.834368 0.440791
C 0.566649 -2.856924 0.049049
C -1.766295 0.700415 -0.052863
C -5.542822 0.178579 0.252037
C -4.232213 0.921518 0.481639
C -5.991318 -0.837515 1.122281
C -6.444006 0.556963 -0.766624
C -7.250409 -1.450312 1.018315
C -7.715476 -0.018306 -0.926510
C -8.113809 -1.026114 -0.018275
H 3.242277 -2.444271 -0.491591
H 3.114187 1.861709 -1.078658
H 0.633901 1.849807 -0.600680
H 7.130033 1.716888 -0.186018
H 1.284397 -3.692329 0.043855
H 0.084338 -2.856401 1.048073
H -0.209281 -3.094287 -0.706903
H -1.215321 -1.286720 0.202782
H -3.307290 -0.724079 -0.377649
H -7.538405 -2.227968 1.730363
H -8.366338 0.321001 -1.736346
H -9.102230 -1.483834 -0.118660


