%chk=000257347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257347

0 1
O -2.785435 1.307317 0.305123
O -0.355991 -2.564414 -0.198866
N -0.512477 1.491346 -0.005795
N -1.596092 -0.666766 0.063052
N 1.842043 1.781757 -0.199815
N 2.101540 -1.164988 -0.479787
C 0.769887 0.891281 -0.182922
C 0.834311 -0.496442 -0.257706
C -1.726166 0.727858 0.139931
C -0.336839 -1.348622 -0.135479
C -0.665310 2.963115 0.143324
C -2.842736 -1.466118 0.211303
C 3.211382 1.372614 -0.588711
C 2.570548 -1.869992 0.754187
H -0.113747 3.335245 1.022916
H -1.739008 3.215563 0.301394
H -0.344009 3.489843 -0.769274
H 1.645659 2.761043 -0.404245
H 1.968391 -1.864608 -1.227058
H -3.172070 -1.475635 1.263694
H -2.651604 -2.508775 -0.109171
H -3.652187 -1.040642 -0.406172
H 3.243320 0.848061 -1.561210
H 3.626328 0.672535 0.163219
H 3.857373 2.262267 -0.631024
H 3.567939 -2.288714 0.552424
H 1.906883 -2.688627 1.080098
H 2.658466 -1.156003 1.586570


%chk=000257347-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257347

0 1
O -2.826552 1.297893 0.367376
O -0.477721 -2.681439 -0.446561
N -0.483478 1.382238 0.191474
N -1.664413 -0.674337 -0.106691
N 1.890188 1.538862 -0.072844
N 1.990237 -1.427186 -0.202865
C 0.758048 0.730271 -0.021341
C 0.786813 -0.664156 -0.145353
C -1.726291 0.697416 0.171188
C -0.452628 -1.419173 -0.248714
C -0.545409 2.841451 0.404599
C -2.955840 -1.392669 -0.183516
C 3.004063 1.287798 -1.007439
C 2.854956 -1.423145 1.002008
H -0.016911 3.137754 1.330411
H -1.609017 3.100534 0.515954
H -0.130246 3.388205 -0.461588
H 1.805310 2.490603 0.282430
H 1.763235 -2.378624 -0.525817
H -3.511232 -1.275377 0.761413
H -2.724585 -2.451535 -0.369864
H -3.570650 -0.979632 -1.000109
H 2.793291 1.698629 -2.015939
H 3.149438 0.197697 -1.106807
H 3.926330 1.752039 -0.617986
H 3.723763 -2.079831 0.822017
H 2.329250 -1.771851 1.917483
H 3.230450 -0.402936 1.197083