%chk=000290158.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290158

0 1
O 1.195015 -0.423832 -0.957061
O -0.557074 1.577609 1.566436
O -0.411974 -1.955470 0.900066
O 0.967773 1.853069 -1.180239
O 3.797574 -0.818186 0.843110
O -3.626595 1.343901 -1.182444
O -2.016733 1.149314 3.242718
O 0.602918 -2.990628 2.633635
O 1.558437 2.009059 -3.359756
O 4.819589 -2.043402 -0.766124
N -1.961362 -0.244919 -1.268297
N -4.263296 -0.800878 -1.797184
C -0.910155 0.330140 0.907813
C -1.019450 0.677988 -0.594737
C 0.196892 -0.678680 1.266192
C 1.485782 -0.431579 0.465483
C 0.304052 0.573159 -1.393252
C 2.542317 -1.523478 0.621259
C -3.309061 0.186278 -1.418268
C -1.226698 1.908008 2.740929
C -0.165558 -3.056833 1.705954
C 1.614344 2.462785 -2.245030
C -0.770520 3.253251 3.172326
C -0.965639 -4.202630 1.204623
C 4.879839 -1.157027 0.049226
C 2.289319 3.691319 -1.748640
C -5.565776 -0.251862 -2.263177
C -3.807625 -1.991192 -2.558638
C 6.024302 -0.279788 0.416817
H -1.895985 -0.029587 1.305521
H -1.400451 1.745020 -0.674606
H 0.407665 -0.675701 2.364143
H 1.902303 0.575074 0.733976
H 0.185440 0.362249 -2.483323
H 2.405965 -2.142082 1.530111
H 2.609785 -2.164984 -0.284162
H -1.753700 -1.237255 -1.121875
H -1.605347 3.974221 3.135508
H -0.405983 3.231567 4.211962
H 0.036503 3.650976 2.534579
H -1.466031 -3.989174 0.247439
H -0.329059 -5.092494 1.062957
H -1.746695 -4.479154 1.933974
H 2.119809 3.857940 -0.672506
H 1.927040 4.580537 -2.289504
H 3.376804 3.630576 -1.914018
H -6.360148 -0.979111 -2.030132
H -5.794769 0.686179 -1.717353
H -5.582517 -0.025473 -3.340172
H -4.672973 -2.624954 -2.817708
H -3.279267 -1.736246 -3.492892
H -3.138689 -2.603433 -1.930490
H 5.780976 0.409410 1.241034
H 6.892670 -0.883132 0.726878
H 6.341815 0.324933 -0.447682


%chk=000290158-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290158

0 1
O 1.140826 -0.195914 -0.647309
O -0.656195 1.866256 1.773368
O -0.591180 -1.797493 1.132436
O 0.899085 2.201423 -0.750182
O 3.653907 -0.800792 0.417919
O -3.356287 1.262207 -2.036861
O -1.846089 1.215060 3.676281
O 0.344277 -2.795612 3.025793
O 2.321747 1.990666 -2.601830
O 3.553106 -2.527251 -1.161802
N -1.884725 -0.247655 -1.031262
N -3.633826 -1.040883 -2.411814
C -1.043355 0.583403 1.121681
C -1.110424 0.827329 -0.406981
C -0.000015 -0.484099 1.537029
C 1.338322 -0.238337 0.821376
C 0.283897 0.886108 -1.076581
C 2.415255 -1.295550 1.060678
C -2.986332 0.057402 -1.843243
C -1.167837 2.073451 3.072042
C -0.345616 -2.893018 1.991016
C 1.940457 2.634605 -1.603790
C -0.800909 3.452335 3.566433
C -1.009620 -4.138552 1.454353
C 4.042066 -1.444596 -0.779359
C 2.492782 3.952311 -1.109811
C -4.817054 -0.803374 -3.252720
C -3.180403 -2.422938 -2.203562
C 5.086415 -0.620210 -1.491737
H -2.036847 0.277721 1.494409
H -1.646499 1.771253 -0.607442
H 0.135611 -0.488051 2.633584
H 1.710730 0.750580 1.159010
H 0.210686 0.776684 -2.170156
H 2.624757 -1.411311 2.135604
H 2.140646 -2.266577 0.613953
H -1.585979 -1.204578 -0.838668
H -1.595389 4.163976 3.275330
H -0.731378 3.448433 4.664814
H 0.142792 3.795665 3.116125
H -0.471710 -4.487610 0.554274
H -0.981192 -4.929285 2.217514
H -2.053014 -3.930692 1.164060
H 1.672094 4.651386 -0.879624
H 3.161096 4.384020 -1.868693
H 3.060607 3.789074 -0.175980
H -5.713138 -1.296908 -2.828963
H -4.990995 0.282722 -3.292288
H -4.655241 -1.179434 -4.281358
H -3.807508 -3.099161 -2.805770
H -2.130709 -2.567844 -2.529091
H -3.271800 -2.740424 -1.143606
H 5.752062 -0.116777 -0.772951
H 5.665664 -1.256351 -2.177282
H 4.568177 0.158606 -2.082969


