%chk=000220356.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220356

0 1
O -5.530545 -0.202576 -0.383382
O -3.914409 -1.376890 -1.423344
O 4.759005 2.073992 0.730714
C -1.849358 -0.294096 0.180025
C -0.781610 0.809819 0.443176
C -3.311402 0.186018 0.424132
C -1.019555 1.965379 -0.573347
C -1.503896 -1.579398 0.944544
C -3.448806 1.698313 0.121652
C -2.489331 2.141204 -0.982831
C 0.625827 0.237452 0.243395
C -0.201940 -2.170022 0.395009
C -0.834938 1.343363 1.887376
C 0.889423 -1.146404 0.249167
C -3.850070 -0.116904 1.827273
C -4.213529 -0.572536 -0.572628
C 1.706007 1.119452 0.102189
C 2.204740 -1.610147 0.097356
C 3.014821 0.651107 -0.052661
C 3.281248 -0.726999 -0.051471
C 4.695880 -1.258840 -0.203141
C 4.112336 1.661776 -0.204293
C -6.513557 -0.824420 -1.251888
C 4.819249 -2.081315 -1.492048
C 5.091765 -2.080015 1.029939
C 4.344749 2.133448 -1.612844
H -1.771627 -0.538498 -0.918933
H -0.420131 1.783599 -1.486863
H -0.639661 2.912144 -0.146997
H -2.319358 -2.320711 0.838213
H -1.399184 -1.375160 2.027353
H -3.233899 2.274463 1.047209
H -4.495373 1.943257 -0.145427
H -2.678952 3.200611 -1.241289
H -2.693614 1.567950 -1.909352
H -0.390861 -2.632339 -0.599830
H 0.132752 -3.000983 1.049047
H -0.733184 0.527244 2.612122
H -0.021737 2.049735 2.087744
H -1.778102 1.864971 2.089786
H -3.926688 -1.192698 2.022252
H -3.206167 0.309972 2.604488
H -4.858449 0.300835 1.959401
H 1.532395 2.196492 0.123875
H 2.397269 -2.682577 0.100674
H 5.415422 -0.401304 -0.274582
H -7.452526 -0.377885 -0.910399
H -6.497481 -1.909011 -1.106759
H -6.293491 -0.573129 -2.294045
H 4.197384 -2.983139 -1.462285
H 5.853259 -2.404715 -1.654795
H 4.508219 -1.500790 -2.367350
H 4.982339 -1.486246 1.946795
H 6.136554 -2.403436 0.969809
H 4.475189 -2.977367 1.145141
H 4.590733 1.296220 -2.279858
H 5.169599 2.857796 -1.663541
H 3.450069 2.616039 -2.027275


%chk=000220356-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220356

0 1
O -5.580823 -0.285350 -0.320511
O -3.875221 -1.378128 -1.441563
O 5.448498 1.210592 -0.244764
C -1.840908 -0.256426 0.149298
C -0.724694 0.823934 0.365531
C -3.310279 0.257396 0.381733
C -0.963237 1.995526 -0.669024
C -1.525486 -1.569567 0.898036
C -3.439058 1.765957 -0.045109
C -2.433331 2.117731 -1.157261
C 0.663796 0.176793 0.126138
C -0.267492 -2.217806 0.290029
C -0.693617 1.408995 1.815111
C 0.877911 -1.230351 0.118070
C -3.832664 0.086294 1.839072
C -4.229824 -0.565457 -0.554165
C 1.792665 1.006083 -0.055600
C 2.188602 -1.726634 -0.085740
C 3.114967 0.515663 -0.236758
C 3.327104 -0.909448 -0.263380
C 4.701985 -1.563736 -0.453737
C 4.224200 1.516572 -0.387880
C -6.545672 -1.003176 -1.187278
C 4.654065 -2.891247 -1.250226
C 5.378333 -1.782351 0.930472
C 3.869616 2.971635 -0.718339
H -1.791882 -0.516246 -0.928543
H -0.309621 1.847937 -1.548670
H -0.655750 2.952046 -0.201560
H -2.372939 -2.273741 0.802772
H -1.374606 -1.384907 1.978920
H -3.254667 2.404141 0.839960
H -4.477196 1.971343 -0.362548
H -2.613568 3.147407 -1.521062
H -2.601445 1.448778 -2.023916
H -0.530629 -2.634906 -0.704618
H 0.070812 -3.074999 0.903574
H -0.632811 0.611746 2.577667
H 0.199367 2.047784 1.939938
H -1.576512 2.033897 2.031424
H -3.885436 -0.974930 2.138432
H -3.171313 0.607676 2.549649
H -4.847223 0.509563 1.926528
H 1.639078 2.090002 -0.047062
H 2.318906 -2.814937 -0.106471
H 5.344268 -0.854753 -1.003241
H -7.533344 -0.651855 -0.857257
H -6.443953 -2.092959 -1.051610
H -6.366592 -0.755178 -2.247023
H 4.165237 -3.706125 -0.683924
H 5.685370 -3.223819 -1.469775
H 4.120839 -2.772249 -2.211352
H 5.504762 -0.821826 1.457203
H 6.379499 -2.233229 0.798332
H 4.773025 -2.460233 1.562033
H 3.155952 3.047565 -1.557468
H 4.800286 3.501298 -0.973207
H 3.415452 3.474319 0.157120


