%chk=000219398.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219398

0 1
O 1.784027 2.071250 -0.422899
O 1.859277 -2.557849 0.456640
O -3.017525 -0.447162 1.387357
N 1.906249 -0.243501 0.009931
N -3.087563 -0.035909 -0.848652
N -4.502792 -0.005235 -0.929394
C -0.904727 -0.250770 0.218808
C -0.245185 0.945596 -0.065598
C -0.206902 -1.443301 0.393132
C 1.164343 0.894783 -0.151656
C 1.202321 -1.384070 0.281939
C -2.405341 -0.258859 0.351524
C 3.241139 2.067595 -0.512700
C 3.316072 -2.542855 0.362417
H -0.766148 1.889363 -0.194478
H -0.699882 -2.382944 0.629390
H -2.634007 0.143683 -1.745470
H 3.671394 1.749362 0.441863
H 3.446086 3.122797 -0.726530
H 3.561550 1.411043 -1.327148
H 3.731359 -1.883952 1.131125
H 3.620404 -2.221515 -0.638138
H 3.554215 -3.596296 0.549208
H -4.884779 -0.910376 -0.616122
H -4.872182 0.691922 -0.265249


%chk=000219398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219398

0 1
O 1.742709 1.997068 -0.619975
O 1.964275 -2.567984 0.619345
O -3.036642 -1.414724 0.837179
N 1.872850 -0.288636 -0.013416
N -3.171609 0.372541 -0.639133
N -4.592480 0.377174 -0.681745
C -0.949985 -0.406152 0.066183
C -0.298150 0.806295 -0.271772
C -0.184204 -1.551796 0.377706
C 1.117063 0.801750 -0.294298
C 1.223778 -1.435961 0.318546
C -2.453174 -0.532402 0.136639
C 3.218613 2.000709 -0.626960
C 3.433916 -2.443705 0.570931
H -0.826519 1.742923 -0.462785
H -0.666073 -2.487111 0.666071
H -2.712869 0.997087 -1.302909
H 3.613934 1.741875 0.370318
H 3.487239 3.030824 -0.902706
H 3.607244 1.278995 -1.365872
H 3.785534 -1.684730 1.290886
H 3.769309 -2.161295 -0.441906
H 3.800252 -3.444222 0.842811
H -4.941286 -0.558390 -0.939457
H -4.972322 0.652667 0.235620


