%chk=000189301.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189301

0 1
O -2.966373 0.222323 -0.008394
N -0.855517 -0.322844 -0.002001
N -1.833507 0.536004 0.263038
C 0.584750 0.041616 0.337590
C 1.386692 0.001995 -0.992450
C 0.633259 1.443580 0.961187
C 1.106869 -0.993200 1.348323
C 2.856233 0.374077 -0.828193
C -1.114730 -1.652928 -0.621065
H 0.910002 0.689612 -1.720922
H 1.319605 -1.006837 -1.444576
H 0.256889 2.212821 0.274408
H 0.023151 1.510267 1.871687
H 1.658430 1.716783 1.233329
H 0.455219 -1.057391 2.228739
H 1.180210 -1.997836 0.918577
H 2.106666 -0.719469 1.704968
H 2.980699 1.398811 -0.457754
H 3.373474 -0.295939 -0.131895
H 3.381284 0.312989 -1.789710
H -0.934106 -1.619966 -1.707015
H -2.174814 -1.938086 -0.471654
H -0.486684 -2.435285 -0.172018


%chk=000189301-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189301

0 1
O -2.984564 0.192091 -0.262006
N -0.825893 -0.348053 -0.033274
N -1.815211 0.601681 0.112359
C 0.586587 0.037095 0.337288
C 1.432432 0.025586 -0.981075
C 0.583546 1.448973 0.970956
C 1.119864 -0.986466 1.376382
C 2.931942 0.352564 -0.809999
C -1.176021 -1.671124 -0.590521
H 0.973168 0.753807 -1.677642
H 1.340887 -0.970229 -1.458326
H 0.233328 2.215625 0.261388
H -0.073002 1.489236 1.855387
H 1.611568 1.696493 1.287362
H 0.446762 -1.026694 2.250815
H 1.211829 -2.005158 0.958657
H 2.118570 -0.678081 1.729828
H 3.088938 1.363165 -0.393739
H 3.439716 -0.373662 -0.150203
H 3.438913 0.317350 -1.791371
H -1.602054 -1.557581 -1.603860
H -1.952457 -2.148368 0.033597
H -0.281148 -2.307154 -0.627801


