%chk=000222810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222810

0 1
O -0.774265 -2.663906 -0.279368
O 3.258427 -0.585348 1.836353
O -4.787589 -0.564058 2.451877
O 5.283168 0.114001 -0.816901
C -1.013851 -0.203602 -0.241518
C -0.215100 1.124265 -0.413196
C 1.104674 1.002834 0.359496
C 1.992179 -0.129791 -0.247595
C -2.360436 -0.124550 -1.029208
C -3.184442 1.118244 -0.551408
C -0.142839 -1.424049 -0.643502
C 1.265716 -1.454074 -0.010967
C 3.321188 0.075712 0.562185
C -1.034106 2.329578 0.075708
C 2.050952 2.214197 0.431615
C -2.370189 2.420182 -0.666697
C 3.435164 1.608877 0.751573
C -3.232753 -1.391051 -0.822310
C -3.709575 0.957125 0.887962
C 2.292670 0.059495 -1.739842
C -2.094332 -0.001029 -2.544471
C -3.745371 -1.566023 0.606014
C -4.530781 -0.327844 1.047684
C 4.565415 -0.553838 -0.107890
C 4.795835 -2.002044 0.169026
H -1.274694 -0.314983 0.839378
H 0.005405 1.268533 -1.501773
H 0.848469 0.720656 1.413235
H -4.070770 1.206859 -1.228147
H -0.078909 -1.523017 -1.752328
H 1.203648 -1.676476 1.071458
H 1.829836 -2.306896 -0.434616
H -0.458403 3.262088 -0.076711
H -1.210040 2.258134 1.166117
H 1.735628 2.937638 1.198995
H 2.073321 2.764358 -0.524893
H -2.959993 3.270557 -0.275443
H -2.192473 2.650404 -1.735277
H 4.215208 2.021599 0.080760
H 3.764601 1.847588 1.775945
H -2.653511 -2.294407 -1.116866
H -4.092238 -1.357026 -1.519333
H -2.864397 0.937823 1.605304
H -4.315270 1.837687 1.166508
H 2.971718 0.904222 -1.920302
H 2.763756 -0.828436 -2.175750
H 1.379128 0.258671 -2.314069
H -1.446654 0.851971 -2.775219
H -1.603890 -0.900329 -2.935718
H -3.022121 0.131572 -3.109703
H -4.386885 -2.465261 0.682665
H -2.912296 -1.743804 1.313710
H -5.511460 -0.253911 0.530548
H -1.017820 -2.678012 0.666139
H 2.605579 -0.143853 2.418546
H 4.741485 -2.207601 1.253876
H 4.025297 -2.630292 -0.299335
H 5.775560 -2.337621 -0.196751
H -5.296573 0.167162 2.840133


%chk=000222810-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222810

0 1
O -0.738502 -2.742503 -0.632557
O 3.124268 -0.524531 1.937609
O -4.865362 -0.618916 2.577124
O 5.326269 -0.071789 -0.804107
C -1.010847 -0.225601 -0.347919
C -0.214074 1.131515 -0.463801
C 1.143604 1.006734 0.253089
C 2.047590 -0.125286 -0.328307
C -2.429254 -0.118707 -1.047548
C -3.210816 1.125694 -0.472465
C -0.114830 -1.412397 -0.836890
C 1.292359 -1.458838 -0.177896
C 3.336649 0.065101 0.593799
C -1.026406 2.326934 0.087025
C 2.085780 2.233182 0.322962
C -2.404585 2.441380 -0.593768
C 3.483011 1.620308 0.674985
C -3.344483 -1.370494 -0.821827
C -3.689536 0.908850 0.992329
C 2.433629 0.113723 -1.813411
C -2.274793 0.029994 -2.588706
C -3.794905 -1.590328 0.638747
C -4.545522 -0.360394 1.156813
C 4.594066 -0.643859 0.048223
C 4.896153 -2.039086 0.558368
H -1.182719 -0.393254 0.740519
H -0.021014 1.336429 -1.537237
H 0.895642 0.712090 1.303246
H -4.125193 1.224858 -1.099401
H -0.005297 -1.366020 -1.933967
H 1.180254 -1.696270 0.900630
H 1.842696 -2.299815 -0.640599
H -0.454580 3.261316 -0.072043
H -1.146988 2.217516 1.184682
H 1.756265 2.975071 1.070860
H 2.117881 2.749224 -0.655160
H -2.983099 3.274847 -0.147376
H -2.261779 2.695029 -1.662611
H 4.262899 1.949068 -0.032184
H 3.823561 1.897436 1.689105
H -2.834228 -2.271989 -1.195225
H -4.252120 -1.221975 -1.446522
H -2.833667 0.825606 1.688265
H -4.270993 1.801069 1.308723
H 3.082791 0.994679 -1.945133
H 2.989911 -0.754195 -2.209964
H 1.541160 0.248939 -2.447791
H -1.580484 0.834922 -2.886366
H -1.915369 -0.912383 -3.040653
H -3.256896 0.255309 -3.046340
H -4.448402 -2.479466 0.708925
H -2.931673 -1.775680 1.307603
H -5.489912 -0.238401 0.577377
H -0.821915 -2.897832 0.343554
H 2.427668 0.002941 2.403360
H 5.151417 -1.988647 1.632416
H 4.002997 -2.685852 0.493539
H 5.733357 -2.470983 -0.011438
H -5.351634 0.164625 2.941040


