%chk=000190717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190717

0 1
S 1.858539 -1.793533 1.445743
O -2.000366 -1.121313 -0.990067
N -2.945197 0.985352 -0.696291
N -0.632613 0.638054 -0.286597
N 0.305750 -1.189866 0.959520
C -4.319732 0.442546 -0.883870
C 1.850870 0.357327 0.009889
C -4.965576 -0.050458 0.419482
C 0.456064 -0.103185 0.221617
C 2.755733 -0.512228 0.660696
C 2.339135 1.452244 -0.713094
C -1.891179 0.033175 -0.649067
C -5.325507 1.081314 1.375470
C 4.133307 -0.307223 0.617170
C 3.716352 1.662433 -0.760741
C 4.604974 0.792140 -0.100004
H -4.272805 -0.395865 -1.620815
H -4.925737 1.251884 -1.348688
H -5.876100 -0.631805 0.167591
H -4.289768 -0.774816 0.921941
H -2.904952 1.773012 -0.047546
H -0.455914 1.616507 -0.509174
H 1.659823 2.122503 -1.235297
H -5.978902 1.823144 0.902239
H -5.856464 0.695660 2.255370
H -4.437660 1.605171 1.745289
H 4.819441 -0.983173 1.123906
H 4.116282 2.508289 -1.318578
H 5.677200 0.982710 -0.155094


%chk=000190717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190717

0 1
S 2.021642 -1.824330 1.616641
O -2.017550 -1.235324 -0.723286
N -2.891998 0.923434 -0.477603
N -0.612915 0.573140 -0.086640
N 0.365760 -1.193166 1.184733
C -4.248177 0.534388 -0.906691
C 1.873240 0.330508 0.074086
C -5.132995 -0.010645 0.240488
C 0.512994 -0.120290 0.389076
C 2.849636 -0.499167 0.700916
C 2.295090 1.413521 -0.739788
C -1.867165 -0.020855 -0.434152
C -5.409959 1.023755 1.352211
C 4.231625 -0.259799 0.544723
C 3.671323 1.662210 -0.895574
C 4.632645 0.832615 -0.252733
H -4.130093 -0.243704 -1.680284
H -4.727531 1.416733 -1.373554
H -6.091388 -0.348001 -0.201949
H -4.642774 -0.906774 0.663772
H -2.777408 1.807832 0.019810
H -0.485818 1.565799 -0.291011
H 1.561615 2.040397 -1.261176
H -5.902788 1.929044 0.947152
H -6.072080 0.601670 2.129345
H -4.474739 1.334991 1.855011
H 4.976627 -0.901412 1.025468
H 4.008020 2.494085 -1.522871
H 5.700158 1.039344 -0.385119


