%chk=000268939.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268939

0 1
S 4.846773 0.516563 0.806214
O -3.071403 2.566582 -0.679591
N -1.508185 2.062972 0.903438
N -0.212565 -3.175814 -1.632289
N -4.058932 -2.143536 -0.045852
C -1.110375 -0.229174 -0.015571
C -1.924123 0.648700 0.970855
C 0.379570 -0.053434 0.171855
C -1.479542 -1.735452 0.152450
C 1.181416 0.260135 -0.934271
C 0.973933 -0.198528 1.436722
C 2.561473 0.431875 -0.783451
C 2.349894 -0.032250 1.593228
C 3.137822 0.284882 0.478278
C -0.777412 -2.543530 -0.849927
C -2.922805 -1.958823 0.031907
C -2.121766 2.935960 -0.013533
C -1.544871 4.321469 -0.047113
C 5.672180 0.407713 -0.793233
H -1.400156 0.087302 -1.055107
H -1.809848 0.291277 2.016618
H -3.013791 0.583785 0.715729
H -1.150322 -2.082817 1.181200
H 0.734704 0.368519 -1.923565
H 0.364400 -0.445985 2.304460
H -0.614266 2.287859 1.328967
H 3.165115 0.677442 -1.656397
H 2.802595 -0.156110 2.578769
H -2.133839 4.954855 -0.732413
H -1.568680 4.809588 0.936733
H -0.508261 4.336791 -0.407157
H 5.451736 1.267200 -1.435696
H 5.421666 -0.515366 -1.329666
H 6.755367 0.398849 -0.599590


%chk=000268939-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268939

0 1
S 5.022141 0.182982 0.881876
O -2.903401 2.440779 -0.982032
N -1.514838 2.111380 0.846191
N -0.380825 -3.297329 -1.600050
N -4.245026 -2.006364 0.067994
C -1.115156 -0.218960 0.012720
C -1.904387 0.705370 0.990786
C 0.396034 -0.122512 0.202645
C -1.588961 -1.720141 0.188548
C 1.234694 0.253357 -0.871979
C 1.003958 -0.397622 1.457782
C 2.634453 0.357734 -0.712816
C 2.396976 -0.298593 1.629996
C 3.226943 0.082609 0.541856
C -0.928035 -2.602697 -0.801388
C -3.060558 -1.880523 0.108871
C -2.048677 2.901122 -0.165182
C -1.555251 4.342927 -0.211627
C 5.730431 0.639287 -0.794600
H -1.381718 0.095159 -1.012458
H -1.740297 0.398485 2.040438
H -2.982381 0.630729 0.765118
H -1.274745 -2.061435 1.197362
H 0.792146 0.463662 -1.852974
H 0.393249 -0.694267 2.320986
H -0.759459 2.476579 1.426772
H 3.245145 0.647859 -1.572881
H 2.843833 -0.520808 2.605612
H -2.413569 5.020292 -0.060465
H -0.785203 4.570895 0.545503
H -1.147189 4.554426 -1.214625
H 5.356674 1.621403 -1.123497
H 5.501168 -0.139547 -1.538237
H 6.819333 0.693262 -0.643243


