%chk=000268851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268851

0 1
Cl 6.145118 3.546535 1.840756
Cl 7.242403 -2.551890 -1.636796
S -3.169588 -1.079343 -0.914999
N 4.869519 -0.033243 0.414564
N -1.612192 0.624907 0.253879
C 3.468771 -0.059149 0.186130
C 5.440646 1.005959 1.304659
C 5.790538 -0.510390 -0.652028
C 0.668432 -0.269661 -0.143887
C 2.924851 -0.813812 -0.878824
C 2.587139 0.596918 1.078442
C 1.545047 -0.913083 -1.033911
C 1.211434 0.488870 0.910852
C -0.781804 -0.384332 -0.313357
C 5.416424 2.403886 0.675812
C 6.150540 -1.967752 -0.342683
C -4.021145 1.249265 0.463027
C -2.886110 0.405623 0.024379
C -5.352011 0.719970 -0.002558
C -1.462248 -1.377092 -0.970907
C -6.077081 -0.168978 0.804884
C -5.876359 1.125700 -1.238919
C -7.317853 -0.647757 0.375506
C -7.117637 0.643195 -1.662354
C -7.840469 -0.242559 -0.856770
H 6.483635 0.715653 1.571704
H 4.874150 1.007065 2.268527
H 6.714317 0.110251 -0.691517
H 5.332088 -0.430188 -1.666248
H 3.571507 -1.326059 -1.587572
H 2.972884 1.179469 1.912783
H 1.144846 -1.494346 -1.866176
H 0.538828 1.002746 1.604614
H 4.384967 2.745289 0.458443
H 5.997298 2.457150 -0.262784
H 5.259326 -2.623930 -0.319337
H 6.675544 -2.071809 0.624996
H -4.002399 1.344574 1.576744
H -3.865621 2.296033 0.101881
H -1.061740 -2.245755 -1.460535
H -5.673382 -0.492075 1.762989
H -5.315985 1.811106 -1.872659
H -7.877930 -1.339346 1.003202
H -7.521697 0.958046 -2.623389
H -8.807001 -0.616557 -1.188663


%chk=000268851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268851

0 1
Cl 6.278669 3.672598 1.978585
Cl 7.290774 -3.053135 -0.939186
S -3.210445 -0.929682 -1.436247
N 4.928431 0.147122 0.250977
N -1.628167 0.499239 0.161099
C 3.535054 0.027409 0.037557
C 5.473139 1.084273 1.247653
C 5.893752 -0.653101 -0.520911
C 0.690680 -0.217037 -0.405364
C 3.004765 -0.912838 -0.900054
C 2.598891 0.839432 0.748540
C 1.620532 -1.023748 -1.112661
C 1.216592 0.712491 0.531049
C -0.766863 -0.313669 -0.613699
C 5.605744 2.500257 0.654835
C 6.082562 -2.045100 0.112057
C -4.040924 1.074359 0.547826
C -2.903850 0.325382 -0.115410
C -5.435950 0.630811 0.129364
C -1.434791 -1.137355 -1.517098
C -6.083442 -0.441883 0.793768
C -6.107109 1.274419 -0.940991
C -7.371934 -0.864021 0.396498
C -7.395894 0.855132 -1.341700
C -8.032210 -0.216235 -0.673498
H 6.469164 0.733317 1.570746
H 4.840273 1.112434 2.152119
H 6.866562 -0.130797 -0.541393
H 5.570961 -0.757751 -1.571877
H 3.667628 -1.570086 -1.470624
H 2.940239 1.581879 1.475954
H 1.266758 -1.762050 -1.841381
H 0.514048 1.342321 1.085201
H 4.637708 2.918502 0.344741
H 6.326755 2.539520 -0.175289
H 5.149033 -2.624845 0.138345
H 6.530969 -1.990735 1.115207
H -3.910891 0.962981 1.641279
H -3.900762 2.150604 0.328850
H -1.017427 -1.849721 -2.224977
H -5.575908 -0.947755 1.624302
H -5.618572 2.106884 -1.462195
H -7.860028 -1.693233 0.920841
H -7.902074 1.363693 -2.169872
H -9.032441 -0.541179 -0.981065


