%chk=000190715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190715

0 1
S 1.159656 2.290101 -0.439508
O -2.852519 0.577496 1.087129
N -1.330446 -0.683041 -0.165249
N -0.392683 1.514736 -0.414143
N -3.648390 -1.174039 -0.216364
C 1.149969 -0.268636 -0.062796
C 2.056810 0.808648 -0.187828
C -0.245040 0.218835 -0.197459
C 1.635515 -1.560843 0.170745
C 3.435072 0.624113 -0.097689
C 3.013262 -1.751713 0.262343
C 3.904802 -0.669721 0.127252
C -2.647806 -0.303025 0.284853
C -5.054666 -0.795841 0.063999
H 0.952902 -2.399796 0.287049
H 4.122941 1.461635 -0.197312
H -1.119395 -1.662243 -0.350731
H 3.411108 -2.749308 0.444430
H 4.977474 -0.850430 0.203322
H -3.509368 -1.610501 -1.126250
H -5.474947 -0.116599 -0.695374
H -5.128307 -0.284788 1.045117
H -5.665944 -1.712342 0.112263


%chk=000190715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190715

0 1
S 1.273719 2.437376 -0.380466
O -2.879593 0.744166 1.018955
N -1.346972 -0.514696 -0.286062
N -0.373595 1.658529 -0.450040
N -3.623279 -1.045298 -0.301115
C 1.128810 -0.197639 -0.097098
C 2.102992 0.842657 -0.157639
C -0.227383 0.335506 -0.267518
C 1.547866 -1.535494 0.121893
C 3.481336 0.571977 -0.021107
C 2.920966 -1.814133 0.252570
C 3.881227 -0.766391 0.176497
C -2.648198 -0.181901 0.201338
C -5.015628 -0.959084 0.152115
H 0.812713 -2.344387 0.211080
H 4.224261 1.374467 -0.064722
H -1.184860 -1.473883 -0.597619
H 3.255286 -2.842621 0.423849
H 4.946176 -1.000171 0.281710
H -3.411441 -1.616710 -1.119977
H -5.684312 -0.600181 -0.652888
H -5.050204 -0.231863 0.978739
H -5.379886 -1.937527 0.515305


