%chk=000216321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216321

0 1
I 3.074148 1.129080 4.177228
I 2.411231 -1.984547 -1.112488
O -4.437680 -1.998698 0.197606
O 3.874984 -0.261235 1.716080
O -2.253039 1.069108 2.196671
O -5.641010 1.672764 -1.266669
O -3.508108 1.007429 -1.661106
N 6.062150 0.704404 -1.106053
C 4.813157 0.771796 -0.286359
C 5.793242 0.085531 -2.447425
C 6.724769 2.044124 -1.233353
C -2.589595 -0.998557 1.154620
C 4.849830 -0.445956 0.644416
C -2.337479 -2.428006 1.104540
C -3.843322 -0.801376 0.619288
C -3.495644 -3.003898 0.508005
C -1.746505 0.073067 1.709357
C -4.666325 0.404657 0.420357
C -0.268725 -0.089276 1.650469
C 7.099766 -0.422457 -3.058414
C 7.348655 2.450179 0.102151
C -1.304275 -3.282217 1.504896
C 2.534517 -0.283611 1.537162
C -3.668074 -4.364981 0.276655
C 0.511011 0.456965 2.693128
C 0.355615 -0.719585 0.571691
C 1.885088 0.349483 2.635799
C 1.750122 -0.839004 0.515137
C -1.455508 -4.650727 1.282977
C -2.612642 -5.184045 0.678352
C -4.474747 1.025619 -0.941865
C -5.682359 2.428621 -2.522135
C -4.933932 3.733822 -2.361718
H 4.782272 1.696581 0.334084
H 3.880060 0.783826 -0.889221
H 5.101324 -0.775508 -2.301084
H 5.286835 0.782809 -3.149220
H 7.528806 1.955965 -1.999443
H 6.030861 2.835251 -1.590645
H 4.703988 -1.413455 0.141566
H 5.778249 -0.476300 1.253063
H -5.749662 0.192538 0.601260
H -4.384251 1.172048 1.201865
H 6.907801 -1.021435 -3.954167
H 7.648945 -1.049582 -2.342622
H 7.769281 0.398440 -3.339683
H 7.952012 3.357086 -0.005399
H 8.000110 1.654479 0.488234
H 6.590741 2.640587 0.871414
H -0.407120 -2.886179 1.979490
H -4.569013 -4.756565 -0.186242
H 0.009981 0.965143 3.527113
H -0.263816 -1.126688 -0.240950
H -0.658748 -5.331546 1.583900
H -2.682189 -6.261065 0.524695
H -6.773529 2.559744 -2.643130
H -5.268603 1.793398 -3.325330
H -5.076442 4.388009 -3.230206
H -5.265100 4.284412 -1.471353
H -3.851609 3.563836 -2.252788


%chk=000216321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216321

0 1
I 3.397751 1.140334 3.824493
I 2.551581 -3.120725 -0.620058
O -4.567874 -1.924840 0.398434
O 4.091844 -1.034726 1.549587
O -1.954761 1.068500 2.040206
O -5.188905 1.741740 -1.649837
O -3.395320 0.289009 -2.014172
N 5.825145 1.247445 -0.950682
C 5.010988 0.924751 0.242515
C 5.024435 1.357285 -2.200083
C 6.791291 2.358180 -0.747385
C -2.574029 -1.106495 1.234725
C 4.943660 -0.607874 0.388840
C -2.557534 -2.569651 1.370474
C -3.804268 -0.774340 0.668281
C -3.799844 -3.027024 0.846282
C -1.579689 -0.090307 1.658775
C -4.404858 0.523485 0.247413
C -0.113533 -0.409728 1.624448
C 5.830019 1.012605 -3.467339
C 7.986804 1.956535 0.137497
C -1.669504 -3.533542 1.914609
C 2.720666 -0.819967 1.507584
C -4.205358 -4.366160 0.806276
C 0.749998 0.309922 2.490000
C 0.436045 -1.348740 0.716191
C 2.134824 0.093891 2.439478
C 1.828398 -1.552945 0.668619
C -2.050198 -4.891893 1.887611
C -3.295690 -5.307434 1.338149
C -4.245365 0.797397 -1.251783
C -5.119391 2.196610 -3.076653
C -4.105464 3.332361 -3.233746
H 5.472344 1.354759 1.147129
H 3.980800 1.346973 0.176404
H 4.177500 0.649886 -2.119329
H 4.573754 2.376394 -2.302419
H 7.173717 2.654250 -1.740880
H 6.289209 3.260880 -0.317739
H 4.577374 -1.074974 -0.542766
H 5.933306 -1.021821 0.632543
H -5.477270 0.566705 0.503422
H -3.898353 1.333638 0.803567
H 5.184644 1.078483 -4.362966
H 6.232915 -0.012584 -3.394330
H 6.679831 1.702720 -3.616996
H 8.689821 2.803594 0.244500
H 8.523586 1.103920 -0.313501
H 7.665651 1.660089 1.152970
H -0.709617 -3.239171 2.348110
H -5.172118 -4.659424 0.388605
H 0.310714 1.037355 3.177918
H -0.221539 -1.907630 0.045814
H -1.370938 -5.645621 2.299749
H -3.556066 -6.370928 1.331746
H -6.148937 2.525009 -3.289799
H -4.855815 1.328894 -3.706498
H -4.129514 3.710401 -4.272719
H -4.343484 4.170376 -2.556286
H -3.082878 2.978466 -3.020798


