%chk=000180854.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180854

0 1
Cl 8.273747 -1.212146 -0.201923
S 4.952187 0.580360 0.776306
F 5.608778 -1.883414 0.228468
F 4.680212 -0.893261 -1.378094
F 6.946777 -0.745162 -2.343952
F -5.382538 -0.523180 -2.694960
F -5.925460 0.200706 1.905370
O 5.488097 1.807430 0.216409
O 5.389221 0.144555 2.079577
O -1.574778 1.446759 -1.036617
O -4.391736 1.968437 -0.566254
N -0.945739 -0.059030 0.631400
N -3.193599 0.035337 -0.118713
C 3.256849 0.474257 0.662027
C 2.481984 1.170192 -0.279874
C 5.600698 -0.694446 -0.406823
C 2.617084 -0.361017 1.603530
C 1.242541 -0.542046 1.618065
C 0.461202 0.151442 0.637551
C 1.086312 0.994777 -0.283393
C 3.075933 2.083470 -1.291367
C 6.956532 -0.349896 -1.040563
C 0.621739 -1.437128 2.641292
C -1.866663 0.580706 -0.252360
C -4.385344 0.780872 -0.395624
C -5.591188 -0.104678 -0.395952
C -6.075384 -0.692298 -1.574965
C -6.353915 -0.323532 0.761502
C -7.244832 -1.456281 -1.618570
C -7.528340 -1.078804 0.768740
C -7.968886 -1.638420 -0.436052
H 3.230119 -0.879220 2.357036
H 0.489000 1.543415 -1.024563
H 3.426228 1.535674 -2.180539
H 2.358687 2.834848 -1.657370
H 3.947043 2.658595 -0.914161
H 7.175638 0.754416 -1.024835
H 1.371387 -1.853933 3.332856
H -0.101091 -0.899546 3.271634
H 0.121403 -2.300252 2.180638
H -1.315911 -0.670031 1.365630
H -3.294595 -0.951825 0.134957
H -7.591733 -1.894590 -2.555926
H -8.096909 -1.222976 1.688688
H -8.890659 -2.226235 -0.452425


%chk=000180854-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180854

0 1
Cl 8.459408 -0.501417 0.485080
S 5.048089 0.597065 0.924368
F 5.838161 -2.066946 0.300254
F 4.930327 -0.930864 -1.449676
F 7.618339 -1.166132 -1.984474
F -6.634224 0.854865 -2.448859
F -4.794754 -1.465503 1.411439
O 5.687610 1.989009 0.348411
O 5.360919 0.085962 2.436799
O -1.608329 1.381298 -1.363322
O -4.481660 1.844955 -1.044718
N -0.997010 0.094718 0.523672
N -3.206800 0.051851 -0.219468
C 3.176475 0.488714 0.657159
C 2.519216 1.119931 -0.425462
C 5.842533 -0.846544 -0.371563
C 2.514741 -0.233570 1.667481
C 1.115209 -0.370688 1.634414
C 0.412180 0.248778 0.550117
C 1.109950 0.984484 -0.443087
C 3.209232 1.901357 -1.526291
C 7.207846 -0.367945 -0.867975
C 0.390020 -1.147818 2.718366
C -1.900057 0.596723 -0.433421
C -4.413153 0.667572 -0.626177
C -5.641860 -0.217746 -0.506403
C -6.741707 -0.046538 -1.392342
C -5.850476 -1.200646 0.492031
C -7.944409 -0.765910 -1.284200
C -7.025468 -1.943871 0.656297
C -8.085461 -1.713547 -0.248817
H 3.097103 -0.668569 2.486912
H 0.539001 1.465213 -1.239710
H 3.771041 1.223816 -2.195837
H 2.464775 2.435790 -2.137215
H 3.930918 2.627953 -1.118355
H 7.157259 0.688584 -1.171833
H 1.104010 -1.535135 3.462174
H -0.335753 -0.517035 3.270449
H -0.156214 -2.021928 2.310187
H -1.402657 -0.389056 1.327902
H -3.284943 -0.848916 0.261247
H -8.742102 -0.578909 -2.007476
H -7.099821 -2.673583 1.466196
H -9.017409 -2.276922 -0.148471


