%chk=000232253.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232253

0 1
Cl 6.247324 -0.689534 0.128216
S -4.958666 0.006243 -0.689209
N -2.455873 0.749568 -0.080009
N 0.419728 0.419077 -0.135440
C -1.768772 0.154237 -1.272897
C -1.547304 1.749737 0.575351
C -0.483398 -0.561746 -0.814792
C -0.262980 1.036377 1.043484
C -3.755854 1.360953 -0.440956
C 1.792398 0.082675 -0.007824
C 2.395620 -0.829961 -0.909428
C 2.612100 0.745924 0.939351
C -4.853606 -0.947081 0.865982
C 3.766992 -1.063322 -0.869869
C 3.983613 0.511171 0.977298
C 4.547925 -0.393192 0.074912
C -5.765582 -2.142148 0.696632
H -1.523767 0.910005 -2.050881
H -2.451746 -0.591595 -1.740111
H -2.067854 2.174067 1.460592
H -1.282948 2.596990 -0.094819
H -0.740226 -1.409639 -0.140380
H 0.031519 -0.988185 -1.705888
H 0.413979 1.781944 1.519758
H -0.512387 0.271404 1.813284
H -3.763683 1.951446 -1.381999
H -4.111679 2.022511 0.376032
H 1.789650 -1.346434 -1.653132
H 2.175895 1.458584 1.638103
H -3.801447 -1.246433 1.042597
H -5.159325 -0.310795 1.715269
H 4.227421 -1.763200 -1.568255
H 4.611008 1.026971 1.705145
H -6.809585 -1.848554 0.517790
H -5.460394 -2.783066 -0.142445
H -5.759097 -2.769900 1.598439


%chk=000232253-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232253

0 1
Cl 6.322984 -0.942607 0.340889
S -5.064442 -0.069107 -0.757148
N -2.462444 0.858290 -0.225916
N 0.400384 0.427566 -0.176502
C -1.774395 0.307059 -1.409799
C -1.579939 1.811728 0.478371
C -0.489454 -0.426957 -0.998908
C -0.287111 1.115122 0.938583
C -3.816075 1.341855 -0.483828
C 1.764549 0.073282 -0.030380
C 2.420514 -0.788323 -0.967351
C 2.562556 0.583849 1.043207
C -4.940041 -0.880692 0.954596
C 3.792227 -1.091017 -0.859493
C 3.935483 0.283880 1.152460
C 4.545144 -0.547860 0.197075
C -5.561711 -2.284380 0.915942
H -1.518364 1.118318 -2.137527
H -2.455182 -0.405846 -1.908393
H -2.103791 2.206299 1.368516
H -1.308747 2.678562 -0.175649
H -0.760174 -1.353606 -0.443994
H 0.030618 -0.722232 -1.923337
H 0.373014 1.896248 1.350004
H -0.527534 0.397083 1.755647
H -3.920063 1.954915 -1.407856
H -4.159326 1.937725 0.379012
H 1.874040 -1.235688 -1.800535
H 2.126644 1.217154 1.819007
H -3.863870 -0.913606 1.197391
H -5.461095 -0.229842 1.678686
H 4.264736 -1.748952 -1.595416
H 4.517942 0.692156 1.984180
H -6.625027 -2.249214 0.617338
H -5.026156 -2.935986 0.203133
H -5.506893 -2.750074 1.917894


