%chk=000225944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225944

0 1
S -0.505332 -1.230613 -1.276273
O -0.179316 -1.227715 -2.686111
O -1.517078 -2.131441 -0.766070
O -1.426168 0.186772 1.780418
O -3.645764 0.328366 1.676732
O 2.039743 3.463148 1.181698
O 0.523523 4.230059 -0.274606
N -1.031964 0.365383 -0.891976
C -2.384538 0.678174 -0.420928
C -0.114952 1.504046 -1.094467
C 0.678914 1.824201 0.188706
C 0.964554 -1.407926 -0.384057
C -3.470746 -0.048259 -1.211137
C -2.602738 0.365676 1.072895
C 2.189039 -1.416507 -1.062021
C 0.928717 -1.573954 1.003345
C 1.011041 3.275347 0.283746
C 3.379902 -1.575006 -0.349203
C 2.119861 -1.733978 1.718386
C 3.343905 -1.733721 1.041425
H -2.555753 1.795538 -0.506267
H 0.583956 1.276395 -1.933261
H -0.684933 2.410551 -1.420521
H 1.598599 1.202718 0.263039
H 0.088400 1.522162 1.094539
H -4.474092 0.260585 -0.884757
H -3.390469 0.154080 -2.286803
H -3.428838 -1.147313 -1.083859
H 2.213842 -1.306030 -2.153430
H -0.031911 -1.575225 1.532850
H 4.333826 -1.581835 -0.875302
H 2.093547 -1.864204 2.799359
H 4.273910 -1.860117 1.598197
H -1.604659 0.014637 2.746112
H 2.283875 4.421505 1.290702


%chk=000225944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225944

0 1
S -0.454396 -1.174389 -1.099770
O -0.126413 -0.968098 -2.687535
O -1.635150 -2.197019 -0.633288
O -1.932584 -0.746817 2.062369
O -4.056692 -0.776668 1.140221
O 1.488559 4.608453 0.734309
O 1.296389 3.985680 -1.495407
N -0.861881 0.447157 -0.197030
C -2.327064 0.592223 0.033708
C -0.180799 1.609763 -0.831406
C 0.303762 2.567083 0.277147
C 1.180377 -1.585962 -0.247976
C -3.227934 0.602078 -1.224598
C -2.869296 -0.401250 1.074747
C 2.282143 -1.859251 -1.073045
C 1.202764 -1.639230 1.155740
C 1.059087 3.753639 -0.290119
C 3.495749 -2.214395 -0.437680
C 2.427095 -1.995088 1.767287
C 3.564495 -2.283461 0.973669
H -2.409821 1.582511 0.535096
H 0.687099 1.248364 -1.411991
H -0.828771 2.143497 -1.553927
H 0.960572 2.027998 0.983703
H -0.540516 2.952513 0.879012
H -4.264236 0.851901 -0.944544
H -2.868157 1.347009 -1.955019
H -3.235384 -0.393688 -1.696584
H 2.188168 -1.794542 -2.162008
H 0.305598 -1.389431 1.732081
H 4.379590 -2.435734 -1.044665
H 2.491713 -2.045213 2.859266
H 4.507517 -2.560549 1.457279
H -2.384612 -1.370628 2.694268
H 1.982929 5.377045 0.337791


