%chk=000231119.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231119

0 1
O 0.838824 4.673564 0.000240
O 2.853464 -3.466960 -0.000135
O 5.028596 -2.519605 -0.000406
O -1.160807 3.664302 0.000522
O -3.149564 -0.461337 -2.478827
O -3.145961 -0.469240 2.480144
O -4.593404 -1.147429 0.000662
N 3.357686 2.046343 -0.000127
C 0.679442 0.990144 0.000187
C 1.812721 0.105280 0.000054
C 0.927035 2.341997 0.000173
C 2.287148 2.820156 0.000019
C 3.130560 0.667875 -0.000113
C -0.703987 0.448698 0.000323
C 1.631903 -1.323663 0.000060
C 2.260421 4.327164 0.000044
C 2.758417 -2.083263 -0.000102
C 4.305903 -0.165865 -0.000278
C 4.090090 -1.508503 -0.000270
C 0.025516 3.515606 0.000351
C -1.340785 0.206838 1.218231
C -1.342555 0.210742 -1.217401
C -2.656496 -0.298674 -1.214648
C -2.654708 -0.302576 1.215767
C 4.282157 -3.784358 -0.000329
C -3.309053 -0.608652 0.000540
C -4.581948 -0.631282 -2.656067
C -4.578049 -0.640173 2.658810
C -4.581503 -2.605348 -0.002328
H 0.630055 -1.753977 0.000209
H 2.689637 4.784325 0.909519
H 2.689395 4.784352 -0.909531
H 5.295834 0.291126 -0.000400
H -0.860303 0.424846 2.170201
H -0.863488 0.431793 -2.169387
H 4.513643 -4.309175 0.936543
H 4.513396 -4.309142 -0.937280
H -4.720745 -0.300610 -3.692388
H -5.147482 -0.009430 -1.953335
H -4.828371 -1.688322 -2.530003
H -4.824857 -1.696524 2.527818
H -5.144570 -0.014759 1.960058
H -4.715143 -0.314696 3.696996
H -5.649389 -2.845775 -0.002523
H -4.084894 -2.980240 0.896873
H -4.085376 -2.976674 -0.903265


%chk=000231119-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231119

0 1
O 0.593659 4.469176 -1.001646
O 3.157003 -3.403310 0.817489
O 5.270781 -2.268578 0.801771
O -1.400401 3.276963 -0.860322
O -3.752390 -0.178621 -2.287845
O -2.778174 -1.683030 2.329311
O -4.617662 -1.538932 0.104819
N 3.267957 2.070300 -0.280871
C 0.626265 0.808647 -0.208927
C 1.826252 0.041698 0.050710
C 0.818652 2.171092 -0.524315
C 2.132243 2.726157 -0.539388
C 3.126374 0.717498 0.010664
C -0.730763 0.193164 -0.138428
C 1.778029 -1.375820 0.313827
C 2.049309 4.202014 -0.858827
C 2.970178 -2.029761 0.548876
C 4.339066 -0.007335 0.267954
C 4.231239 -1.358388 0.535111
C -0.159473 3.262499 -0.795348
C -1.169746 -0.444367 1.049512
C -1.615695 0.282844 -1.240226
C -2.903825 -0.273934 -1.159657
C -2.462087 -1.007836 1.137973
C 4.618599 -3.592589 1.000790
C -3.336858 -0.954751 0.014511
C -4.882119 0.766027 -2.099290
C -4.036462 -1.296222 3.008394
C -4.866077 -2.644531 -0.856054
H 0.827962 -1.912619 0.312533
H 2.442958 4.837772 -0.047313
H 2.546288 4.465705 -1.808464
H 5.290998 0.524536 0.236026
H -0.530462 -0.497549 1.936007
H -1.331372 0.796846 -2.161593
H 4.812316 -3.934390 2.031357
H 4.990774 -4.291952 0.233893
H -5.439753 0.749055 -3.047904
H -4.493335 1.782220 -1.903011
H -5.529738 0.438239 -1.265281
H -4.904509 -1.462635 2.350199
H -3.988364 -0.234442 3.317728
H -4.089263 -1.943018 3.897212
H -5.906278 -2.955678 -0.676458
H -4.176981 -3.483440 -0.647331
H -4.736708 -2.289824 -1.892966


