%chk=000216024.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216024

0 1
O 0.860312 -2.827338 1.330582
O 4.460997 1.590224 -1.380991
O -3.719259 3.366554 0.343030
N -1.907691 -2.835268 -1.419564
C 0.441468 -1.439043 1.251147
C -0.890707 -1.548912 0.439241
C -0.638957 -2.188583 -0.948448
C 0.171860 -0.938724 2.689173
C 1.529761 -0.652466 0.539673
C -1.601048 -0.220088 0.364829
C 1.420147 -0.926023 3.564246
C 2.461069 -1.323246 -0.262040
C 1.615266 0.746662 0.667489
C -2.716181 0.008693 1.197580
C -1.195067 0.787556 -0.518293
C -1.606478 -4.053099 -2.231334
C -2.748449 -1.887664 -2.207905
C 3.472388 -0.629800 -0.934384
C 2.608126 1.463189 0.010408
C -3.398254 1.218192 1.163312
C -1.862961 2.016048 -0.574361
C 3.533626 0.760482 -0.788928
C -2.957992 2.218077 0.271078
C 5.472661 0.984190 -2.220512
C -3.369115 4.463358 -0.533525
H -1.536581 -2.282323 1.001879
H 0.146301 -2.971962 -0.821386
H -0.228816 -1.444002 -1.659363
H -0.278513 0.073597 2.653600
H -0.597647 -1.591293 3.150314
H 2.188785 -0.249495 3.168149
H 1.183224 -0.592626 4.581554
H 1.869610 -1.923477 3.644640
H 1.565383 -2.932851 2.001548
H 2.396548 -2.410737 -0.362329
H 0.890637 1.280885 1.286628
H -3.053948 -0.777211 1.874732
H -0.342043 0.617767 -1.179256
H -2.555142 -4.534292 -2.517841
H -1.022652 -3.870910 -3.144370
H -1.059260 -4.773667 -1.601530
H -3.013721 -1.028463 -1.568131
H -2.280418 -1.503094 -3.124829
H -3.691221 -2.386511 -2.481370
H 4.182911 -1.171000 -1.548168
H 2.687854 2.543593 0.099088
H -4.259325 1.408744 1.799119
H -1.526271 2.781189 -1.264538
H 6.053233 1.859550 -2.539835
H 6.090367 0.296785 -1.635664
H 5.008380 0.487998 -3.077364
H -3.472697 4.162229 -1.579773
H -4.122501 5.215135 -0.264545
H -2.360502 4.822171 -0.310059


%chk=000216024-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216024

0 1
O 0.860765 -2.855112 1.382390
O 4.684856 1.537819 -1.399567
O -3.910517 3.422828 0.360098
N -1.854434 -2.896827 -1.469450
C 0.460822 -1.423554 1.257836
C -0.891103 -1.515825 0.432539
C -0.658494 -2.187516 -0.952296
C 0.176193 -0.878523 2.688594
C 1.583800 -0.646094 0.541730
C -1.644976 -0.187366 0.379344
C 1.379367 -0.950057 3.654326
C 2.506599 -1.325412 -0.291593
C 1.745803 0.760281 0.689579
C -2.763369 0.028973 1.232123
C -1.289146 0.859391 -0.507105
C -1.489015 -3.981851 -2.403710
C -2.887518 -2.012133 -2.045304
C 3.551390 -0.646747 -0.959423
C 2.778349 1.453423 0.033784
C -3.494110 1.230368 1.206921
C -2.008492 2.076160 -0.548926
C 3.688455 0.752942 -0.795981
C -3.116448 2.263487 0.313189
C 5.655443 0.853019 -2.255736
C -3.569981 4.510039 -0.558846
H -1.501745 -2.241810 1.004354
H 0.124794 -2.950463 -0.807796
H -0.268954 -1.441771 -1.690347
H -0.185645 0.163200 2.626069
H -0.659836 -1.473963 3.103173
H 2.251513 -0.395731 3.263604
H 1.110442 -0.510296 4.631695
H 1.689916 -1.994686 3.851896
H 1.695530 -2.889762 1.916466
H 2.406989 -2.408425 -0.416408
H 1.056531 1.328865 1.321793
H -3.072907 -0.769170 1.917741
H -0.439319 0.730966 -1.185356
H -2.397511 -4.541330 -2.693018
H -0.998778 -3.618548 -3.344208
H -0.797973 -4.685524 -1.906525
H -3.243437 -1.294674 -1.290259
H -2.517591 -1.425322 -2.926285
H -3.748478 -2.621280 -2.376206
H 4.241111 -1.213990 -1.592025
H 2.901133 2.534371 0.152724
H -4.358345 1.389576 1.859169
H -1.700616 2.856039 -1.252324
H 6.331183 1.643427 -2.614164
H 6.233115 0.098069 -1.686989
H 5.160095 0.366209 -3.118683
H -3.650449 4.186519 -1.615322
H -4.308202 5.300124 -0.356615
H -2.549307 4.896365 -0.368267


