%chk=000257693.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257693

0 1
S 2.237629 0.219096 0.133236
O 3.217622 1.219732 0.486167
O 2.219168 -1.032754 0.831912
N 0.752718 1.090231 0.497606
N -1.605641 1.269990 0.786573
N -0.618081 -0.494637 -0.608743
C 2.215689 -0.012335 -1.579214
C -0.520427 0.606919 0.228706
C -2.831078 0.773237 0.501300
C -1.869104 -0.960135 -0.855729
C -3.012983 -0.355771 -0.317376
H 0.792597 1.937025 1.094599
H 2.011437 0.903790 -2.154206
H 3.166755 -0.402252 -1.973854
H 1.443204 -0.738301 -1.907215
H -3.683038 1.302515 0.949792
H -1.933045 -1.840811 -1.508446
H -4.004424 -0.745037 -0.521508


%chk=000257693-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257693

0 1
S 2.250662 0.243256 0.160860
O 3.357540 1.326949 0.643181
O 2.111954 -1.184452 0.910789
N 0.659383 1.237884 0.261473
N -1.622639 1.246288 0.801824
N -0.696014 -0.420368 -0.740870
C 2.350883 -0.036150 -1.713693
C -0.595474 0.653449 0.109905
C -2.860980 0.715448 0.596934
C -1.944129 -0.945931 -0.887016
C -3.078405 -0.405752 -0.238076
H 0.737254 1.992176 0.958428
H 2.418556 0.965266 -2.158492
H 3.256519 -0.638199 -1.873321
H 1.415527 -0.557431 -1.960696
H -3.684125 1.199643 1.133360
H -2.024493 -1.815830 -1.547597
H -4.073021 -0.835745 -0.373392


