%chk=000214661.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214661

0 1
S -1.395951 1.133308 0.520626
O -2.362408 2.113199 0.127139
O -1.060337 0.944425 1.903869
N 0.011377 1.352706 -0.419955
N -1.961007 -0.419197 -0.045789
N -2.520894 -1.342633 0.550097
N -3.036915 -2.267799 0.951279
C 1.112534 0.433574 -0.276277
C -0.214759 1.948267 -1.762733
C 1.709421 -0.191518 -1.385137
C 1.617520 0.207851 1.020289
C 2.813859 -1.026328 -1.192452
C 2.715932 -0.633572 1.191361
C 3.319728 -1.251424 0.089843
H -0.934521 2.788118 -1.682242
H -0.601693 1.228669 -2.504003
H 0.732812 2.372009 -2.143326
H 1.322496 -0.041894 -2.389988
H 1.161931 0.688203 1.892876
H 3.278550 -1.507493 -2.053133
H 3.107440 -0.807057 2.194460
H 4.178186 -1.904114 0.233294


%chk=000214661-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214661

0 1
S -1.533547 1.179310 0.564322
O -2.512266 2.426569 0.254099
O -1.192122 0.800174 2.103992
N 0.255800 1.592817 -0.453076
N -2.410993 -0.600922 -0.428177
N -2.460812 -1.548285 0.407633
N -2.538631 -2.475308 1.164041
C 1.209204 0.569197 -0.306312
C -0.156920 2.034712 -1.803909
C 1.739516 -0.183677 -1.403945
C 1.705272 0.327965 1.017965
C 2.759812 -1.124074 -1.179751
C 2.706172 -0.634704 1.227895
C 3.240696 -1.361060 0.133365
H -1.000814 2.734966 -1.693770
H -0.452435 1.216952 -2.490186
H 0.695395 2.585471 -2.243930
H 1.366638 -0.019910 -2.419447
H 1.292330 0.904609 1.850063
H 3.176853 -1.684652 -2.022949
H 3.077694 -0.817478 2.241091
H 4.026457 -2.105370 0.301087


