%chk=000231751.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231751

0 1
O -0.554899 0.217736 1.359781
O -0.042362 -0.526141 -0.783479
O 0.455337 1.565384 2.847890
C -0.989936 0.244236 -0.042478
C -0.748354 1.685747 -0.482119
C -2.403948 -0.260353 -0.137818
C -0.155493 2.387457 0.595264
C 0.003301 1.461800 1.745660
C -1.000474 2.310584 -1.687648
C 0.356792 -1.773162 -0.285178
C 0.189355 3.723008 0.480875
C -2.923785 -0.595598 -1.397737
C -3.199902 -0.377557 1.007850
C -0.653093 3.673008 -1.806797
C 1.731158 -1.918332 -0.014191
C -0.071680 4.365839 -0.745746
C -4.244199 -1.034929 -1.507373
C -4.521801 -0.819185 0.891351
C -0.542612 -2.839372 -0.186306
C 2.666083 -0.774553 -0.084761
C -5.044533 -1.144114 -0.363550
C 2.196290 -3.192737 0.340373
C -0.050507 -4.094604 0.179164
C 1.313033 -4.272152 0.436721
C 3.360406 -0.502282 -1.272897
C 2.866132 0.030222 1.047128
C 4.254035 0.571081 -1.323554
C 3.761375 1.101033 0.987871
C 4.456953 1.372189 -0.195115
H -1.445055 1.774738 -2.524422
H 0.649538 4.260062 1.310781
H -2.288653 -0.525911 -2.281948
H -2.779703 -0.133626 1.987497
H -0.842612 4.186694 -2.750646
H 0.190409 5.417734 -0.861645
H -1.601589 -2.692953 -0.388927
H -4.651347 -1.294933 -2.483227
H -5.141841 -0.910683 1.782263
H 3.257009 -3.333897 0.550622
H -6.075203 -1.485562 -0.452567
H -0.734913 -4.938001 0.262756
H 1.688894 -5.253851 0.718895
H 3.196300 -1.122756 -2.151597
H 2.319394 -0.179362 1.968316
H 4.792635 0.783476 -2.245032
H 3.916024 1.724228 1.867508
H 5.154742 2.205249 -0.237407


%chk=000231751-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231751

0 1
O -1.589015 0.357046 2.253672
O 0.375929 -0.002625 0.865431
O -2.218038 1.762859 4.016520
C -0.990080 0.503968 0.880258
C -0.865995 2.020011 0.714919
C -1.894581 -0.187874 -0.138804
C -1.325240 2.661725 1.881198
C -1.762944 1.644556 2.869088
C -0.368994 2.761869 -0.368038
C 0.623051 -1.409052 0.934531
C -1.320331 4.064446 2.009588
C -1.378974 -0.480765 -1.426911
C -3.246083 -0.478926 0.158979
C -0.358249 4.173629 -0.251780
C 1.666412 -1.916219 0.104626
C -0.831449 4.820330 0.920617
C -2.211695 -1.062411 -2.405612
C -4.076987 -1.060350 -0.824554
C -0.096542 -2.239351 1.820773
C 2.436717 -1.074738 -0.859325
C -3.564331 -1.351465 -2.109037
C 1.952977 -3.305804 0.211090
C 0.208489 -3.614757 1.890087
C 1.238609 -4.150701 1.084532
C 2.766962 -1.597883 -2.141942
C 2.890480 0.233655 -0.531708
C 3.525520 -0.844493 -3.063736
C 3.651494 0.985547 -1.452968
C 3.973832 0.452816 -2.723064
H 0.005313 2.270135 -1.270686
H -1.682937 4.538606 2.927029
H -0.327100 -0.274363 -1.654689
H -3.635311 -0.266220 1.158708
H 0.022951 4.778470 -1.081749
H -0.812793 5.913722 0.979071
H -0.877133 -1.803167 2.448656
H -1.804143 -1.293422 -3.395881
H -5.121327 -1.289482 -0.585639
H 2.770637 -3.717032 -0.391317
H -4.210170 -1.804062 -2.869682
H -0.348976 -4.257007 2.580217
H 1.491733 -5.214463 1.144533
H 2.406058 -2.593778 -2.424347
H 2.651965 0.653907 0.448699
H 3.761917 -1.267152 -4.046875
H 4.000225 1.986498 -1.174097
H 4.564850 1.038668 -3.435979


