%chk=000236553.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236553

0 1
O -0.820421 -1.741674 -0.856168
O -0.481923 2.631501 0.763465
O -2.990094 0.025786 1.289491
O -1.393976 2.098477 -1.248743
O -2.768136 -2.617428 -0.198048
C -0.003978 -0.533939 -0.671957
C -0.758300 0.357090 0.346416
C 1.365350 -0.948429 -0.201995
C -2.082341 -0.347471 0.615727
C -0.944541 1.761813 -0.182310
C -2.008010 -1.700281 -0.148724
C 2.316780 0.044963 0.078835
C 1.702179 -2.300848 -0.072519
C 3.598537 -0.321128 0.494030
C 2.987814 -2.660595 0.344204
C 3.935382 -1.673446 0.628142
C -0.572360 4.071636 0.484022
C 0.501322 4.475458 -0.500934
H 0.026631 -0.084157 -1.695151
H -0.191969 0.406484 1.323408
H 2.060858 1.098862 -0.024497
H 0.960229 -3.070279 -0.303036
H 4.338478 0.447629 0.713203
H 3.248519 -3.713890 0.444902
H 4.936565 -1.955074 0.952094
H -1.592916 4.290861 0.122767
H -0.416324 4.479811 1.500342
H 0.547087 5.566449 -0.615543
H 1.495508 4.135018 -0.185067
H 0.310249 4.053003 -1.499657


%chk=000236553-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236553

0 1
O -0.905007 -2.000926 -0.660509
O -0.784610 2.567503 0.829470
O -3.269043 0.345192 0.634422
O -0.547948 2.069147 -1.443246
O -3.096450 -2.582423 -0.109865
C -0.075447 -0.736130 -0.730890
C -0.791529 0.267788 0.218471
C 1.359071 -1.050067 -0.372991
C -2.241877 -0.254792 0.281295
C -0.683046 1.712313 -0.249421
C -2.194058 -1.739022 -0.173043
C 2.403219 -0.384793 -1.060933
C 1.673341 -1.960462 0.666415
C 3.750429 -0.615549 -0.702847
C 3.020403 -2.197482 1.015603
C 4.061743 -1.521659 0.336584
C -0.783150 4.040643 0.530725
C 0.649164 4.572819 0.457594
H -0.151601 -0.363313 -1.767323
H -0.381218 0.194355 1.244304
H 2.161909 0.311070 -1.873701
H 0.869294 -2.505172 1.173690
H 4.553248 -0.098146 -1.239169
H 3.259303 -2.911792 1.811043
H 5.106404 -1.707308 0.609404
H -1.327884 4.201451 -0.415518
H -1.347458 4.467315 1.374115
H 0.626547 5.670238 0.325081
H 1.202365 4.350013 1.385941
H 1.190085 4.135392 -0.398003


