%chk=000224654.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224654

0 1
S -0.979910 0.068734 -0.541543
O -0.241742 -0.664391 -1.546508
O -1.663111 1.298098 -0.881741
N 0.042140 0.421700 0.801708
N -2.154436 -1.017031 0.100330
C 0.407341 1.847393 1.018867
C 1.073998 -0.576910 1.183392
C 1.443036 2.434071 0.040288
C 2.152746 -0.853788 0.122399
C 0.805351 3.285009 -1.051417
C 3.246088 -1.762578 0.669883
C -2.967040 -0.468831 1.212473
C -1.670340 -2.397989 0.331834
H 0.785531 1.943733 2.061628
H -0.537479 2.443477 0.977053
H 0.542408 -1.526524 1.439867
H 1.558008 -0.235695 2.127479
H 2.172660 3.045971 0.605935
H 2.046762 1.617702 -0.418490
H 1.694875 -1.308411 -0.786346
H 2.589825 0.107091 -0.232093
H 0.408453 4.225910 -0.654495
H 1.524124 3.533288 -1.839039
H -0.042522 2.768541 -1.532240
H 2.847111 -2.730311 0.994485
H 4.002205 -1.967992 -0.098561
H 3.765088 -1.312640 1.523674
H -3.834706 -1.126875 1.394508
H -3.373699 0.517404 0.913947
H -2.417396 -0.352697 2.160637
H -1.200111 -2.777327 -0.598086
H -2.526034 -3.060736 0.548625
H -0.943421 -2.490995 1.159546


%chk=000224654-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224654

0 1
S -1.098445 -0.208868 -0.590286
O -0.467990 -1.375319 -1.526168
O -1.769641 1.151515 -1.167285
N 0.190537 0.279397 0.586538
N -2.535307 -1.068259 0.326441
C 0.171563 1.661624 1.108736
C 1.327292 -0.647418 0.773835
C 1.274617 2.609409 0.573294
C 2.459745 -0.589132 -0.282198
C 1.198212 2.867434 -0.944850
C 3.555472 -1.630982 0.030822
C -3.159562 -0.126123 1.285301
C -2.081489 -2.346808 0.923740
H 0.240290 1.603755 2.216033
H -0.813605 2.095363 0.854459
H 0.942546 -1.684986 0.805309
H 1.736071 -0.425856 1.782366
H 1.159517 3.567181 1.121810
H 2.272590 2.216205 0.849757
H 2.018500 -0.791389 -1.274912
H 2.900089 0.424045 -0.312469
H 0.210794 3.272251 -1.228576
H 1.976350 3.585926 -1.261045
H 1.341603 1.934884 -1.518449
H 3.141560 -2.657032 0.025389
H 4.361805 -1.592694 -0.723079
H 4.014018 -1.455068 1.023121
H -4.129157 -0.562703 1.586998
H -3.357928 0.828216 0.770934
H -2.550962 0.051996 2.200442
H -1.509499 -2.910826 0.169063
H -2.987903 -2.928267 1.173513
H -1.475881 -2.221070 1.849415


