%chk=000230162.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230162

0 1
O -2.785828 0.699345 -0.271190
O -2.798535 -1.606961 0.105629
C -4.932762 -0.421770 -0.019610
C -4.143821 0.889029 0.214410
C -4.149058 -1.587918 0.607338
C -2.071555 -0.386496 0.334548
C -4.653547 2.064564 -0.625898
C -6.351836 -0.332048 0.561871
C -0.779282 -0.526138 -0.463960
C 0.462478 -0.417879 0.423757
C -4.191335 3.413385 -0.060573
C 1.747602 -0.561410 -0.403107
C -7.237529 -1.496019 0.126731
C 2.996863 -0.454385 0.481630
C 4.281785 -0.597886 -0.345191
C -4.676989 4.579739 -0.917154
C 5.531858 -0.492071 0.538750
C 6.815752 -0.634832 -0.289126
C 8.067338 -0.530596 0.594742
C 9.326403 -0.665061 -0.210306
C 10.404174 0.095685 -0.028721
H -4.985582 -0.598380 -1.123116
H -4.087030 1.135254 1.296111
H -4.123470 -1.540019 1.708739
H -4.532959 -2.572067 0.284009
H -1.974345 -0.211748 1.421891
H -5.757775 2.033615 -0.696170
H -4.276010 1.946790 -1.664638
H -6.310286 -0.283697 1.667686
H -6.818461 0.623112 0.239561
H -0.796799 -1.498518 -1.003836
H -0.766619 0.250250 -1.260337
H 0.464537 0.555047 0.953641
H 0.433596 -1.198016 1.209959
H -3.082761 3.422605 -0.004008
H -4.552230 3.535862 0.978716
H 1.745237 -1.531911 -0.936519
H 1.776280 0.215474 -1.191778
H -8.260767 -1.374804 0.501270
H -7.296654 -1.573329 -0.965691
H -6.865794 -2.456492 0.501071
H 2.967870 -1.231484 1.269707
H 2.998957 0.516089 1.014511
H 4.310976 0.179564 -1.133075
H 4.279046 -1.567687 -0.879378
H -5.770459 4.614960 -0.974005
H -4.337567 5.538177 -0.508304
H -4.297156 4.510430 -1.943433
H 5.502685 -1.269520 1.326408
H 5.533694 0.477944 1.072605
H 6.849360 0.146879 -1.073200
H 6.811735 -1.602488 -0.827057
H 8.052715 0.426782 1.154223
H 8.052529 -1.325184 1.371074
H 9.307097 -1.454751 -0.964190
H 11.311883 -0.018430 -0.602190
H 10.466450 0.888615 0.701272


%chk=000230162-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230162

0 1
O -2.988914 1.227909 -0.526649
O -2.313702 -0.972717 0.177600
C -4.755650 -0.410101 0.099151
C -4.348160 1.091316 0.066117
C -3.629658 -1.215741 0.793711
C -1.996199 0.456264 0.212905
C -5.261474 1.994204 -0.775804
C -6.112294 -0.629005 0.819427
C -0.638384 0.667534 -0.444812
C 0.515825 -0.015606 0.320349
C -4.853095 3.484240 -0.737081
C 1.885840 0.197302 -0.360840
C -6.570217 -2.104990 0.872331
C 3.050149 -0.485946 0.390720
C 4.423303 -0.273469 -0.285907
C -5.772299 4.368566 -1.605891
C 5.586678 -0.962527 0.462109
C 6.959117 -0.746275 -0.214102
C 8.121429 -1.444288 0.542449
C 9.456528 -1.282387 -0.153261
C 10.567961 -0.726095 0.391901
H -4.832252 -0.760382 -0.950123
H -4.303746 1.468754 1.118220
H -3.590414 -0.944822 1.875524
H -3.788442 -2.301391 0.703438
H -2.012021 0.787546 1.283313
H -6.304503 1.894357 -0.417103
H -5.239102 1.630045 -1.822549
H -6.047726 -0.225396 1.852019
H -6.893461 -0.039369 0.303899
H -0.701036 0.275851 -1.477346
H -0.464606 1.758200 -0.515561
H 0.559351 0.378636 1.357754
H 0.300356 -1.097921 0.402605
H -3.805356 3.573476 -1.077114
H -4.877176 3.841566 0.313355
H 1.841916 -0.191928 -1.399429
H 2.091883 1.285234 -0.445102
H -7.589853 -2.182650 1.291593
H -6.587187 -2.550543 -0.140183
H -5.907219 -2.724831 1.502298
H 2.844947 -1.573975 0.470319
H 3.091363 -0.100802 1.431253
H 4.629659 0.814701 -0.361887
H 4.380789 -0.654654 -1.327702
H -6.824940 4.307695 -1.268624
H -5.466029 5.429996 -1.564895
H -5.741143 4.050192 -2.665090
H 5.381980 -2.051491 0.535134
H 5.627894 -0.583875 1.504847
H 7.174120 0.338681 -0.285798
H 6.919803 -1.127061 -1.255918
H 8.185047 -1.048657 1.574989
H 7.879836 -2.525653 0.628468
H 9.499132 -1.648191 -1.192414
H 11.503611 -0.635202 -0.171683
H 10.571841 -0.345123 1.421170


