%chk=000116123.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116123

0 1
O -2.340841 0.668315 -2.037468
O 1.036124 -0.320514 -0.461386
O -0.788712 -2.574893 -1.860430
O 2.472227 -2.619742 -1.339365
C -2.538982 2.557912 -0.681507
C 3.130568 0.083158 0.475044
C -3.154494 1.176712 -0.939116
C 1.630253 0.263740 0.739119
C -2.912117 3.135182 0.697081
C 3.966687 0.082438 1.769717
C -0.749693 -1.131158 -1.755685
C -2.205738 -0.756604 -2.111124
C -0.342006 -0.744954 -0.327528
C -4.604918 1.224460 -1.406775
C 1.202335 1.721947 0.841588
C -2.432620 4.589476 0.796806
C -2.319910 2.298099 1.838357
C 3.733225 -1.198586 2.580410
C 5.454712 0.233981 1.427746
C 0.373235 -3.203082 -2.437856
C 1.391614 -3.551857 -1.346216
H -1.436459 2.479664 -0.787511
H -2.844309 3.257264 -1.483960
H 3.285417 -0.872924 -0.081043
H 3.490963 0.868769 -0.215942
H -3.040466 0.508238 -0.057538
H 1.294568 -0.323811 1.621026
H -4.026855 3.126567 0.796241
H 3.659529 0.958704 2.393770
H -0.029863 -0.692155 -2.484220
H -2.413467 -0.997986 -3.171315
H -2.929886 -1.289097 -1.475260
H -0.941753 0.096004 0.061524
H -0.388145 -1.607031 0.359393
H -5.236436 1.786314 -0.711098
H -5.029272 0.221135 -1.515341
H -4.680004 1.707855 -2.390428
H 1.241022 2.205486 -0.144650
H 0.168202 1.830645 1.209755
H 1.856120 2.287631 1.513746
H -2.875249 5.213131 0.012510
H -2.705656 5.033734 1.759973
H -1.344074 4.665177 0.699267
H -1.226294 2.192459 1.736200
H -2.748470 1.291178 1.864691
H -2.511981 2.760652 2.812349
H 4.013669 -2.091658 2.008259
H 2.682356 -1.312188 2.864876
H 4.327282 -1.201852 3.500136
H 5.806890 -0.585748 0.790278
H 5.653813 1.170440 0.896587
H 6.072959 0.230461 2.331658
H 0.822564 -2.567057 -3.220312
H -0.066431 -4.107948 -2.898241
H 0.912613 -3.580958 -0.350882
H 1.893233 -4.517092 -1.547545
H 2.138823 -1.711934 -1.050363


%chk=000116123-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116123

0 1
O -2.092411 0.933934 -0.910571
O 1.704036 -0.539703 -0.156198
O -0.500528 -2.403447 -1.060065
O 2.248634 -1.910411 -2.411923
C -3.226452 2.938397 -0.265029
C 3.977599 -0.869874 0.556768
C -3.458006 1.477087 -0.693296
C 2.631264 -0.243927 0.968344
C -4.501226 3.764726 0.050588
C 5.129747 -0.714788 1.585985
C -0.534087 -0.927697 -1.036500
C -2.018558 -0.530051 -0.922963
C 0.273761 -0.409653 0.156024
C -4.316840 1.332879 -1.963992
C 2.700410 1.272780 1.221102
C -4.106325 5.217586 0.409057
C -5.343613 3.138371 1.189093
C 4.777431 -1.327297 2.963922
C 6.417972 -1.360048 1.021465
C 0.017122 -3.021205 -2.297634
C 1.545910 -3.179752 -2.281438
H -2.569042 2.931035 0.627914
H -2.656222 3.436897 -1.074390
H 3.811903 -1.948640 0.362143
H 4.285885 -0.419048 -0.407555
H -3.926187 0.904730 0.139556
H 2.231480 -0.759560 1.869098
H -5.130276 3.804577 -0.863107
H 5.330956 0.367462 1.728648
H -0.111747 -0.508545 -1.970930
H -2.563485 -0.961907 -1.787424
H -2.455372 -0.951891 0.009789
H 0.007215 0.650334 0.331165
H 0.031567 -1.012712 1.057171
H -5.345316 1.697446 -1.788366
H -4.392216 0.278143 -2.283719
H -3.874634 1.916924 -2.790953
H 3.101533 1.790008 0.331341
H 1.703697 1.691117 1.447311
H 3.357219 1.494840 2.081482
H -3.518307 5.686276 -0.402088
H -5.001698 5.842015 0.586403
H -3.490854 5.240748 1.329203
H -4.735194 3.028366 2.107913
H -5.732914 2.139034 0.920051
H -6.211110 3.779077 1.434080
H 4.520294 -2.399278 2.858851
H 3.919973 -0.819058 3.442829
H 5.636657 -1.253413 3.656256
H 6.275345 -2.446915 0.867300
H 6.695441 -0.916362 0.047326
H 7.268946 -1.224712 1.714678
H -0.287117 -2.425445 -3.183418
H -0.469393 -4.014002 -2.343874
H 1.838055 -3.719964 -1.354028
H 1.850780 -3.791615 -3.152077
H 2.124202 -1.377775 -1.563318


