%chk=000220512.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220512

0 1
O 3.035584 0.274289 0.429321
O -1.995775 1.445968 0.830844
O -0.976864 -1.003034 -1.480955
N 0.243916 -0.271602 0.282328
C 0.758267 0.816960 1.148621
C 1.240530 -1.359093 0.069634
C 2.089433 1.349822 0.591756
C 2.563499 -0.772123 -0.446131
C -0.800485 -0.138404 -0.632673
C -1.761338 1.073126 -0.528534
C -3.068118 0.770169 -1.241043
H 0.916247 0.395389 2.169230
H 0.010415 1.635718 1.260854
H 0.833292 -2.109252 -0.650341
H 1.395427 -1.878991 1.040999
H 1.961643 1.867654 -0.373882
H 2.607567 2.010691 1.310075
H 3.391082 -1.502796 -0.401797
H 2.468252 -0.369943 -1.469629
H -1.257677 1.979911 -0.945028
H -3.745333 1.631859 -1.211201
H -3.592286 -0.088223 -0.801256
H -2.892459 0.504223 -2.295541
H -2.545318 0.773782 1.289849


%chk=000220512-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220512

0 1
O 3.149886 0.251771 0.492136
O -2.242587 1.182149 1.037256
O -1.241798 -1.261117 -1.191930
N 0.323653 -0.175013 0.143332
C 0.810363 0.923542 1.007135
C 1.265278 -1.315549 0.056385
C 2.203139 1.379022 0.525293
C 2.646341 -0.809692 -0.400522
C -0.898170 -0.239928 -0.511719
C -1.838506 0.989803 -0.379951
C -3.052194 0.871862 -1.305222
H 0.892063 0.547450 2.046786
H 0.096134 1.758773 1.019467
H 0.846907 -2.048397 -0.653665
H 1.354629 -1.791274 1.053703
H 2.124122 1.834305 -0.486711
H 2.641519 2.109934 1.224603
H 3.398084 -1.614153 -0.351337
H 2.581028 -0.425337 -1.441345
H -1.282035 1.916213 -0.607154
H -3.728982 1.726398 -1.132034
H -3.591959 -0.074898 -1.128171
H -2.740678 0.869511 -2.364067
H -2.836737 0.430726 1.293231


