%chk=000245692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245692

0 1
S 3.451995 0.563025 0.240347
O -1.241570 2.209906 0.195666
O -4.387547 -0.550635 -0.812001
N 0.886136 1.362242 0.213496
N 1.291995 -1.004606 0.291123
N -2.423838 -0.447719 0.304559
N -0.460129 -2.566506 0.284333
C -1.020739 -0.181297 0.265045
C -0.581724 1.193664 0.223146
C 1.713865 0.259624 0.248742
C -0.095068 -1.241614 0.292931
C 1.441751 2.735325 0.168158
C 4.194060 -1.073537 0.279144
C -3.174032 -0.481466 -0.888355
H 0.605551 3.469052 0.143985
H 2.048675 2.893338 -0.739731
H 2.048404 2.953076 1.063784
H -2.897572 -0.209431 1.177121
H 0.238244 -3.286936 0.386792
H -1.427197 -2.826959 0.411265
H 3.889443 -1.684044 -0.583835
H 3.914042 -1.630532 1.185216
H 5.285430 -0.950191 0.259843
H -2.598975 -0.516577 -1.823875


%chk=000245692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245692

0 1
S 3.534868 0.600786 0.216727
O -1.251514 2.350201 0.338093
O -4.395415 -1.019264 -0.825661
N 0.934236 1.441071 0.288445
N 1.263762 -0.929986 0.214175
N -2.428085 -0.184108 0.133136
N -0.505349 -2.449029 0.278409
C -1.008571 -0.041330 0.165075
C -0.514595 1.315358 0.260406
C 1.730022 0.311392 0.236033
C -0.113272 -1.128149 0.221034
C 1.500906 2.805542 0.358698
C 4.135858 -1.178838 0.157442
C -3.138172 -0.971155 -0.769167
H 0.647252 3.499717 0.396051
H 2.115396 3.016042 -0.533812
H 2.117509 2.921662 1.266732
H -2.963153 0.543398 0.625221
H 0.221793 -3.156656 0.352898
H -1.480221 -2.707530 0.405953
H 3.750527 -1.665942 -0.748120
H 3.788804 -1.712795 1.052024
H 5.234438 -1.108898 0.135881
H -2.475823 -1.564288 -1.438774


