%chk=000214978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214978

0 1
O -0.046846 1.408889 1.003629
O 1.915957 2.207669 0.186785
O 2.811535 -1.962633 -0.076185
N 1.535930 -0.113496 0.403121
N 3.739792 0.118234 -0.501123
C -0.679525 0.094307 1.245566
C 0.391081 -0.954756 0.856016
C -1.939660 0.002129 0.427810
C 1.226328 1.265176 0.486316
C -2.284683 1.002540 -0.488030
C -2.779359 -1.108538 0.607538
C 2.746340 -0.745587 -0.077848
C -3.465987 0.890660 -1.228331
C -3.956527 -1.214752 -0.135882
C -4.301012 -0.216413 -1.054880
C 5.018614 -0.429173 -0.998330
H -0.895332 0.115657 2.337494
H 0.695326 -1.596935 1.709753
H 0.059997 -1.631986 0.036613
H -1.632935 1.870502 -0.614815
H -2.519131 -1.886822 1.322486
H -3.733262 1.670578 -1.940644
H -4.608623 -2.076481 0.000549
H 3.634555 1.137679 -0.479054
H -5.220025 -0.302803 -1.632747
H 5.192227 -0.108502 -2.040166
H 5.015247 -1.537373 -0.978347
H 5.855777 -0.080070 -0.369396


%chk=000214978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214978

0 1
O -0.013518 1.158044 0.979458
O 2.134666 2.061170 0.777978
O 2.981024 -1.865197 -0.754073
N 1.635137 -0.183668 0.147031
N 3.946322 0.208881 -0.199071
C -0.607263 -0.237980 0.880547
C 0.419492 -1.010971 0.003018
C -2.013605 -0.167644 0.336244
C 1.347432 1.096333 0.643050
C -2.275565 0.425473 -0.925230
C -3.086493 -0.707580 1.084883
C 2.908543 -0.682909 -0.306848
C -3.591846 0.471269 -1.429303
C -4.404395 -0.672608 0.575857
C -4.659338 -0.082856 -0.682536
C 5.306222 -0.154612 -0.608808
H -0.610685 -0.630836 1.913326
H 0.596316 -2.035633 0.362321
H 0.107236 -1.063894 -1.054966
H -1.455380 0.873037 -1.498891
H -2.892942 -1.153992 2.068238
H -3.788721 0.939683 -2.399754
H -5.227659 -1.096285 1.160988
H 3.737480 1.150576 0.163378
H -5.680930 -0.048711 -1.076727
H 5.663800 0.505309 -1.420465
H 5.292845 -1.193284 -0.974394
H 6.007624 -0.083415 0.242645


