%chk=000251112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251112

0 1
O 0.419818 -0.467686 0.249637
O -3.741031 2.183290 0.002475
O -1.064931 -2.489616 1.248461
O -5.061774 0.126016 0.830452
O -3.668650 -2.400171 1.280851
O 2.143893 -1.777169 -1.523691
O -1.128878 2.884684 -1.491732
O 5.639142 1.363059 1.371148
C -1.552328 0.973434 -0.122486
C -0.949754 -0.242385 0.292665
C -2.938893 1.100078 0.128083
C -1.668340 -1.346576 0.763271
C 1.232949 0.516782 -0.300000
C -3.706897 -0.022346 0.567135
C -3.088455 -1.250629 0.860879
C -0.705725 1.936180 -0.853726
C 2.641224 0.094675 -0.201327
C 0.739011 1.652961 -0.815281
C 3.117175 -1.080462 -0.838684
C 3.532796 0.876169 0.533060
C 4.884229 0.485185 0.618540
C 4.462435 -1.457576 -0.747377
C 5.354842 -0.671607 -0.013403
C -3.201772 3.531033 -0.076284
C -0.348876 -3.251460 0.234437
C -5.868583 0.385535 -0.353914
C -5.104632 -2.408856 1.523579
C 2.568395 -2.883913 -2.356522
C 7.039848 1.052128 1.558513
H 1.378566 2.412347 -1.267100
H 3.203393 1.783734 1.043596
H 4.825116 -2.358826 -1.235288
H 6.397981 -0.969534 0.057056
H -2.331530 3.653017 0.571345
H -2.948804 3.746940 -1.125648
H -4.055662 4.122688 0.273973
H 0.025513 -4.097049 0.820237
H 0.476434 -2.650953 -0.174458
H -1.038070 -3.577682 -0.545838
H -5.732419 -0.405424 -1.092829
H -6.881544 0.390274 0.060298
H -5.607712 1.367376 -0.767603
H -5.638256 -2.313446 0.575089
H -5.381295 -1.601245 2.212461
H -5.238149 -3.398251 1.976369
H 3.280077 -2.544010 -3.114388
H 1.619037 -3.184975 -2.820787
H 2.976578 -3.688501 -1.738639
H 7.153549 0.102295 2.088457
H 7.369601 1.891722 2.186029
H 7.563553 1.054252 0.598611


%chk=000251112-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000251112

0 1
O 0.372494 -0.523737 0.214689
O -3.670173 2.304652 -0.499300
O -1.253867 -2.551742 1.094190
O -5.202992 0.139448 0.288312
O -4.000841 -2.351391 0.827075
O 2.217027 -1.944981 -1.440930
O -0.968952 3.264260 -0.923064
O 5.776462 1.540457 1.200461
C -1.554714 1.006352 -0.158544
C -1.011187 -0.264671 0.201861
C -2.983439 1.144080 -0.116459
C -1.812390 -1.368103 0.600124
C 1.257546 0.460763 -0.230708
C -3.801591 0.036455 0.225139
C -3.221558 -1.219963 0.579736
C -0.614059 2.080870 -0.592875
C 2.681390 0.054267 -0.172699
C 0.800656 1.693491 -0.626681
C 3.162754 -1.157886 -0.763162
C 3.600495 0.916026 0.462156
C 4.977126 0.596170 0.536183
C 4.535464 -1.477353 -0.679991
C 5.445252 -0.610021 -0.031397
C -3.590775 3.468388 0.414649
C -0.605768 -3.427748 0.089767
C -5.886026 0.406419 -1.001156
C -4.882493 -2.297444 2.016967
C 2.711136 -3.119257 -2.165433
C 7.206114 1.247260 1.316040
H 1.508777 2.440201 -0.992825
H 3.251773 1.841436 0.929727
H 4.917691 -2.399783 -1.125651
H 6.501656 -0.889071 0.018635
H -3.871004 3.162972 1.440321
H -2.578138 3.900957 0.374647
H -4.325694 4.186442 0.019674
H -0.231694 -4.289127 0.664227
H 0.230865 -2.900724 -0.401676
H -1.352922 -3.767686 -0.652381
H -5.712943 -0.433890 -1.699454
H -6.955818 0.474383 -0.751262
H -5.524573 1.354290 -1.432385
H -5.575541 -1.442662 1.944280
H -4.267713 -2.229525 2.933955
H -5.435173 -3.248752 2.006236
H 3.459353 -2.832547 -2.929492
H 1.824249 -3.545356 -2.657031
H 3.149433 -3.865581 -1.474551
H 7.381814 0.316810 1.891128
H 7.631777 2.103472 1.859143
H 7.682932 1.164187 0.319483


