%chk=000116747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116747

0 1
O -2.144823 -0.021384 1.164713
O -0.469474 -2.539890 -0.572359
O -1.474704 2.679630 -0.916552
C -2.082031 -0.873628 -0.026029
C -2.369235 0.614967 -0.131567
C -3.193073 -1.886215 -0.164546
C -3.760200 1.120430 -0.426588
C -4.422052 -1.290681 -0.862884
C -4.831811 0.042109 -0.223420
C -0.672752 -1.372564 -0.327523
C -1.235719 1.558811 -0.528731
C 0.420852 -0.352157 -0.316322
C 0.151034 1.023803 -0.415757
C 1.740976 -0.804676 -0.219249
C 1.218738 1.930210 -0.417289
C 2.815377 0.099805 -0.209547
C 4.272747 -0.359751 -0.088892
C 2.533759 1.471916 -0.309500
C 4.848949 0.210100 1.221934
C 5.061309 0.178577 -1.298733
C 4.402810 -1.892564 -0.062439
H -3.466561 -2.249666 0.850321
H -2.830279 -2.781979 -0.714894
H -3.788911 1.505463 -1.468804
H -3.974100 1.999273 0.219391
H -5.261516 -2.010198 -0.810004
H -4.212002 -1.145852 -1.940615
H -5.792720 0.390009 -0.646568
H -5.005932 -0.104389 0.862589
H 1.912569 -1.884379 -0.154928
H 1.011267 3.001210 -0.505559
H 3.349578 2.196821 -0.305851
H 5.883542 -0.116342 1.374103
H 4.851278 1.304582 1.231376
H 4.269520 -0.123456 2.090416
H 5.086589 1.272497 -1.323870
H 6.101095 -0.166066 -1.277748
H 4.622855 -0.162183 -2.243506
H 5.453465 -2.195831 0.015336
H 3.881709 -2.333946 0.794450
H 4.005776 -2.352318 -0.974553


%chk=000116747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116747

0 1
O -2.180106 -0.042827 1.173723
O -0.451719 -2.579013 -0.593119
O -1.502939 2.754537 -0.876001
C -2.106223 -0.879813 -0.105762
C -2.393872 0.616181 -0.182239
C -3.224895 -1.899900 -0.282704
C -3.801940 1.108570 -0.467550
C -4.532619 -1.292881 -0.843550
C -4.878711 0.046529 -0.157735
C -0.684365 -1.357390 -0.354499
C -1.255701 1.565709 -0.515091
C 0.412580 -0.344060 -0.290618
C 0.135233 1.050766 -0.373495
C 1.751071 -0.796419 -0.204914
C 1.219151 1.962398 -0.370543
C 2.840112 0.105095 -0.183485
C 4.307852 -0.363079 -0.074817
C 2.541501 1.498215 -0.269896
C 4.939975 0.244209 1.215252
C 5.099739 0.134176 -1.322672
C 4.429965 -1.906173 -0.001380
H -3.413949 -2.355731 0.707639
H -2.852758 -2.710699 -0.933003
H -3.845641 1.394005 -1.536814
H -3.973798 2.036124 0.108013
H -5.353321 -2.021820 -0.709491
H -4.429643 -1.123801 -1.934639
H -5.860655 0.416836 -0.506187
H -4.951113 -0.103477 0.936387
H 1.908792 -1.877331 -0.163562
H 0.998116 3.031513 -0.452422
H 3.357954 2.228403 -0.261865
H 5.995017 -0.074690 1.303519
H 4.920962 1.348721 1.203377
H 4.399569 -0.095594 2.117463
H 5.082362 1.235091 -1.411843
H 6.156873 -0.181518 -1.246921
H 4.678724 -0.289754 -2.252534
H 5.496048 -2.187978 0.070532
H 3.914651 -2.318236 0.885560
H 4.015619 -2.394798 -0.902312


