%chk=000000865.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000865

0 1
O -2.500254 -1.455759 0.907424
O 3.573006 -1.759140 -0.345150
O -4.479897 -0.238434 0.669109
O 2.909912 -0.050672 -1.798714
N -3.466914 1.216864 -1.417618
N 3.555989 1.006238 1.205587
C -0.021045 0.141501 -0.003565
C -1.258660 1.026495 -0.260273
C 1.200128 0.988737 0.418896
C -2.530492 0.283804 -0.798830
C 2.470350 0.154414 0.668723
C -3.281727 -0.456911 0.307313
C 2.952060 -0.525173 -0.626278
H -0.247828 -0.611218 0.773307
H 0.218415 -0.417700 -0.931561
H -1.536824 1.598237 0.646355
H -1.012176 1.779858 -1.033794
H 1.415442 1.743397 -0.365129
H 0.983994 1.535137 1.356056
H -2.168560 -0.506466 -1.500617
H 2.260402 -0.637074 1.409064
H -4.445672 1.136715 -1.143031
H -3.269309 1.520252 -2.367515
H 3.791734 1.800722 0.600824
H 4.383520 0.491333 1.522842
H -3.039993 -1.904148 1.613972
H 3.944499 -2.140910 -1.187098


%chk=000000865-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000865

0 1
O -2.511571 -1.314874 1.070168
O 3.538440 -1.768975 -0.383635
O -4.552911 -0.409109 0.463200
O 2.908777 -0.036580 -1.800286
N -3.442713 1.228368 -1.408630
N 3.571090 1.009739 1.178554
C -0.015511 0.141546 -0.001412
C -1.265660 1.021470 -0.212214
C 1.204076 0.987369 0.427330
C -2.522936 0.283276 -0.774146
C 2.480146 0.155812 0.656959
C -3.314751 -0.475039 0.290602
C 2.944089 -0.520568 -0.645344
H -0.225486 -0.633920 0.757213
H 0.215059 -0.386433 -0.949917
H -1.544058 1.547007 0.721018
H -1.028022 1.812400 -0.950853
H 1.411367 1.755672 -0.345575
H 0.991009 1.517943 1.374253
H -2.146746 -0.511094 -1.470134
H 2.283195 -0.637056 1.399228
H -4.436529 1.009684 -1.312997
H -3.151648 1.594048 -2.314356
H 3.806019 1.797038 0.564185
H 4.398579 0.496097 1.497925
H -3.091549 -1.796078 1.721427
H 3.898346 -2.147646 -1.232265


