%chk=000219372.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219372

0 1
O -2.281014 -1.658961 0.401735
O -2.683854 1.231585 0.567638
O 2.205592 2.503121 -1.198654
O 2.869595 1.945973 0.784423
N 2.388601 -0.969843 -0.359510
N 2.116388 1.870018 -0.162629
C -0.010574 -1.304596 0.041491
C 1.121232 -0.454393 -0.117358
C -1.309202 -0.718621 0.247397
C 0.939424 0.965131 -0.037923
C -1.442103 0.672022 0.287767
C -0.309411 1.513243 0.152643
C 0.194287 -2.717965 -0.022613
C 1.454514 -3.212012 -0.246670
C 2.538402 -2.291045 -0.417913
C -3.646942 -1.217066 0.644230
C -3.194791 2.103178 -0.478177
H -0.455234 2.596307 0.214090
H -0.670175 -3.374940 0.109492
H 1.649963 -4.280898 -0.298858
H 3.554885 -2.664536 -0.609970
H -4.152834 -2.170444 0.837369
H -4.035267 -0.718414 -0.247660
H -3.682160 -0.549780 1.514413
H -4.185007 2.367217 -0.087878
H -3.266250 1.562967 -1.425330
H -2.565164 2.991854 -0.574047


%chk=000219372-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219372

0 1
O -2.366464 -1.776441 0.113671
O -2.859955 1.050544 -0.182455
O 1.757779 3.000976 -0.893197
O 3.067530 1.662750 0.414919
N 2.422118 -1.005779 -0.259056
N 1.982864 1.902812 -0.230802
C -0.022966 -1.367395 -0.022559
C 1.137729 -0.504905 -0.143796
C -1.356399 -0.827325 0.010601
C 0.891601 0.909594 -0.194876
C -1.541972 0.572272 -0.127015
C -0.408767 1.421344 -0.218597
C 0.207672 -2.780434 0.055178
C 1.511981 -3.267472 -0.020433
C 2.587000 -2.339688 -0.202227
C -3.665249 -1.459149 0.750113
C -3.056645 2.494442 -0.369283
H -0.520253 2.503713 -0.318812
H -0.651618 -3.446971 0.161496
H 1.722300 -4.339611 0.036545
H 3.616804 -2.699727 -0.312018
H -4.135926 -2.442220 0.902537
H -4.277982 -0.823452 0.094812
H -3.507726 -0.954546 1.719466
H -4.147346 2.627432 -0.408443
H -2.603004 2.838721 -1.317448
H -2.640205 3.069617 0.479178


