%chk=000260372.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260372

0 1
S 1.423765 1.884903 -0.168142
O 1.413384 3.143397 0.550551
O 1.982660 1.794004 -1.496394
N 2.323050 0.859653 0.894057
C -4.149325 -0.522759 -0.131524
C -2.738148 0.076684 -0.118146
C -4.086005 -2.042940 -0.371706
C -4.918155 0.161897 -1.277703
C -4.880087 -0.279012 1.201365
C -1.757412 -0.408828 -1.001795
C -2.407077 1.146523 0.730307
C -0.151526 1.195578 -0.156741
C -0.477117 0.143702 -1.019911
C -1.125670 1.698320 0.712575
C 2.838631 -0.425457 0.588808
C 2.914845 -0.896209 -0.736573
C 3.267543 -1.247317 1.656248
C 3.390085 -2.185421 -0.978051
C 3.741956 -2.530000 1.387731
C 3.798139 -3.010141 0.074839
H -5.084025 -2.492635 -0.322446
H -3.674441 -2.289105 -1.356696
H -3.465028 -2.541033 0.381310
H -4.435759 -0.006430 -2.246867
H -5.942211 -0.219608 -1.351393
H -4.981893 1.245650 -1.128854
H -5.870078 -0.749462 1.198955
H -4.323407 -0.698098 2.046942
H -5.036601 0.787450 1.397147
H -1.995181 -1.225172 -1.684569
H -3.152269 1.560865 1.409509
H 0.270090 -0.246851 -1.719417
H -0.886748 2.536842 1.377588
H 2.573643 1.224595 1.822760
H 2.658467 -0.251128 -1.581812
H 3.227076 -0.886962 2.679812
H 3.450980 -2.547726 -2.004685
H 4.071230 -3.164032 2.210887
H 4.165318 -4.012336 -0.125464


%chk=000260372-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260372

0 1
S 1.576552 2.161545 -0.184142
O 1.491596 3.531754 0.685269
O 2.095250 2.108977 -1.720381
N 2.826345 1.068902 0.829098
C -4.009698 -0.633703 0.000223
C -2.636622 0.078043 -0.023976
C -3.786325 -2.168866 0.158437
C -4.755234 -0.356100 -1.340862
C -4.908708 -0.150013 1.166551
C -1.692166 -0.255813 -1.036171
C -2.272771 1.069205 0.926052
C -0.117242 1.324197 -0.127917
C -0.426777 0.360848 -1.103349
C -1.008409 1.700193 0.887670
C 2.904780 -0.306827 0.479795
C 3.433287 -0.663389 -0.793867
C 2.518919 -1.329110 1.393691
C 3.569397 -2.023370 -1.136828
C 2.697584 -2.686328 1.053024
C 3.212488 -3.040007 -0.216534
H -4.759728 -2.693653 0.156033
H -3.177441 -2.583073 -0.664758
H -3.271953 -2.397722 1.109614
H -4.185006 -0.723074 -2.212709
H -5.735913 -0.866958 -1.339274
H -4.928724 0.726390 -1.480366
H -5.870519 -0.693198 1.138426
H -4.445870 -0.344672 2.151798
H -5.135062 0.929693 1.092056
H -1.944384 -1.008546 -1.790495
H -2.977216 1.364347 1.707897
H 0.288090 0.120922 -1.896345
H -0.735633 2.483014 1.603413
H 2.566961 1.256485 1.814560
H 3.737036 0.130527 -1.482371
H 2.097424 -1.055838 2.369666
H 3.976450 -2.292255 -2.117827
H 2.422037 -3.466580 1.771188
H 3.339904 -4.094546 -0.483785


