%chk=000217969.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217969

0 1
Cl -6.012671 -0.839938 -0.280951
S 2.391735 -0.102765 0.655896
O 0.107061 -3.139945 0.008979
O 5.139902 -2.602338 -1.470305
O 4.940274 -2.560025 0.762459
N 0.127232 1.504094 0.636626
N -0.100933 -0.861650 0.331136
C 0.858324 2.774481 0.837169
C 1.647183 3.194085 -0.423633
C -0.184622 3.847747 1.224841
C 0.725046 3.585145 -1.584807
C -1.086049 4.238894 0.047402
C -0.260753 4.684345 -1.166648
C 0.637940 0.348007 0.537481
C 2.125600 -1.893365 0.489346
C 0.634330 -2.079872 0.249112
C 2.941658 -2.439879 -0.667298
C -1.547452 -0.847820 0.184586
C -2.135257 -1.575881 -0.865435
C -2.336444 -0.125121 1.096252
C 4.398254 -2.529317 -0.314673
C -3.523764 -1.575960 -1.006612
C -3.724405 -0.121100 0.947605
C -4.297219 -0.845649 -0.100756
H 1.581875 2.659721 1.692100
H 2.332054 2.387117 -0.744305
H 2.295363 4.052798 -0.158062
H 0.352984 4.738495 1.602385
H -0.807644 3.478679 2.062558
H 0.162580 2.693994 -1.928830
H 1.329590 3.922652 -2.446797
H -1.778948 5.043180 0.354691
H -1.718880 3.370717 -0.230950
H 0.287121 5.616341 -0.932277
H -0.933214 4.927887 -2.010338
H 2.415877 -2.398358 1.453339
H 2.575492 -3.462784 -0.947877
H 2.808752 -1.837418 -1.598824
H -1.516795 -2.154652 -1.553943
H -1.873618 0.442035 1.906020
H -3.995992 -2.139266 -1.812360
H -4.351311 0.438768 1.642428
H 6.117946 -2.680078 -1.296327


%chk=000217969-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217969

0 1
Cl -5.973326 -0.718771 -0.762532
S 2.590089 -0.052758 0.640138
O 0.174218 -3.195763 0.173041
O 5.282758 -3.322640 -0.979186
O 4.916599 -2.652268 1.215712
N 0.259901 1.537981 0.307116
N 0.012879 -0.838432 0.240209
C 1.063997 2.776695 0.405540
C 1.276185 3.367148 -1.018345
C 0.317722 3.793525 1.308065
C -0.050130 3.845423 -1.654203
C -1.010077 4.266414 0.671095
C -0.776821 4.860818 -0.739092
C 0.776097 0.368538 0.370266
C 2.197761 -1.903339 0.618017
C 0.702074 -2.062711 0.320155
C 3.043922 -2.682451 -0.400919
C -1.417208 -0.798555 -0.000542
C -1.964308 -1.550566 -1.065238
C -2.255762 -0.026993 0.835895
C 4.476849 -2.858719 0.064028
C -3.356008 -1.532001 -1.298972
C -3.646923 0.000830 0.604442
C -4.175981 -0.753044 -0.461190
H 2.062460 2.561872 0.852890
H 1.770482 2.613719 -1.660960
H 1.973139 4.224678 -0.923039
H 0.987722 4.663766 1.462137
H 0.135612 3.341190 2.301470
H -0.707467 2.970084 -1.818796
H 0.153687 4.296189 -2.644600
H -1.495397 5.012852 1.329067
H -1.695608 3.400997 0.589565
H -0.165187 5.783753 -0.653900
H -1.742723 5.156510 -1.191919
H 2.399565 -2.287632 1.633182
H 2.597686 -3.690165 -0.524777
H 3.035530 -2.202077 -1.394384
H -1.316850 -2.159248 -1.700786
H -1.826856 0.558393 1.652092
H -3.788992 -2.112289 -2.118199
H -4.304587 0.594754 1.244860
H 6.211477 -3.459701 -0.647000


