%chk=000216561.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216561

0 1
O 2.099840 -0.128413 0.252982
O 0.525109 0.462577 2.506696
O 0.840309 0.271364 -2.313069
O -1.041777 3.821089 -0.149361
O 2.391660 -2.166439 -0.749177
N -0.251837 2.105747 1.170375
N -0.107645 2.012959 -1.230308
C 0.677539 0.002647 0.107571
C -0.149992 -1.315444 0.065492
C -1.616322 -0.969764 -0.098884
C 0.103415 -2.217569 1.269956
C 0.340559 0.829382 1.372350
C 0.500188 0.731444 -1.250169
C -2.411403 -0.612622 0.999428
C -2.186852 -1.013288 -1.380549
C -0.517037 2.733087 -0.076235
C 2.868181 -1.198057 -0.232398
C -3.760720 -0.298079 0.816247
C -3.536302 -0.698805 -1.559482
C 4.293307 -0.811241 0.053887
C -4.325436 -0.339044 -0.462294
C 5.058417 -1.994973 0.627968
H 0.202483 -1.881937 -0.849977
H 0.061727 -1.683469 2.229882
H 1.091403 -2.693289 1.207233
H -0.638956 -3.025793 1.311750
H -0.514990 2.643113 2.014711
H -0.270660 2.476563 -2.140686
H -1.983308 -0.588073 2.002056
H -1.579216 -1.295356 -2.241961
H -4.373743 -0.022079 1.673393
H -3.973693 -0.735771 -2.556563
H 4.755807 -0.461492 -0.897351
H 4.334884 0.060421 0.747209
H -5.376688 -0.093166 -0.603077
H 4.990216 -2.878771 -0.023451
H 6.123093 -1.754077 0.744469
H 4.679540 -2.286682 1.616537


%chk=000216561-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216561

0 1
O 2.157019 -0.141418 0.520456
O 0.523400 0.706789 2.632589
O 1.142168 0.211124 -2.158734
O -1.325719 3.720916 -0.376124
O 2.476654 -2.202567 -0.603048
N -0.419203 2.147097 1.094253
N -0.124580 1.910799 -1.237100
C 0.706839 0.061817 0.258616
C -0.178224 -1.262024 0.248725
C -1.649813 -0.916731 -0.024070
C 0.023023 -2.123922 1.514214
C 0.288433 0.981676 1.431714
C 0.610682 0.721722 -1.143144
C -2.538224 -0.520764 1.010209
C -2.153651 -1.015915 -1.347621
C -0.680725 2.662272 -0.186892
C 2.932018 -1.203555 -0.022287
C -3.889814 -0.224900 0.726453
C -3.505484 -0.722036 -1.634140
C 4.394836 -0.900707 0.259423
C -4.378708 -0.321628 -0.596891
C 5.295949 -2.138647 0.098922
H 0.205279 -1.834446 -0.613514
H -0.261318 -1.603447 2.442278
H 1.074999 -2.434882 1.613176
H -0.593675 -3.035074 1.418172
H -0.768891 2.712021 1.875492
H -0.259620 2.297694 -2.177346
H -2.181230 -0.458722 2.044945
H -1.482898 -1.336750 -2.154492
H -4.562112 0.075945 1.537742
H -3.876537 -0.811434 -2.661135
H 4.699684 -0.101809 -0.445976
H 4.473024 -0.459074 1.268950
H -5.427967 -0.094385 -0.815086
H 5.180186 -2.582346 -0.904138
H 6.354502 -1.859534 0.241182
H 5.040796 -2.916456 0.839429


