%chk=000238838.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238838

0 1
O 1.537899 1.511700 0.027134
O 2.137385 -0.650024 0.163435
O -4.111587 -1.202663 -0.454379
O 1.127900 2.638755 -1.882584
O 4.029090 -0.184940 -0.998422
O -4.267138 -2.598952 1.349881
C 1.349588 0.230020 -0.656527
C -0.084886 -0.190690 -0.539474
C 1.802067 3.830588 0.165339
C 4.083637 -1.628667 0.998181
C -0.525974 -1.016590 0.501110
C -0.992562 0.284071 -1.505480
C 1.113342 5.117719 -0.305595
C 5.364491 -2.322268 0.516826
C 1.449963 2.672921 -0.718841
C 3.511516 -0.746848 -0.069279
C -2.746734 -0.922705 -0.392556
C -1.868739 -1.397423 0.582741
C -2.332562 -0.080237 -1.441789
C 1.550457 6.317731 0.526628
C 6.003455 -3.142055 1.631650
C -4.798067 -2.039718 0.430853
C -6.225602 -2.063995 -0.044315
C -7.182544 -1.966177 1.135197
H 1.760262 0.297953 -1.687603
H 1.539236 3.603360 1.222294
H 2.908517 3.954038 0.163083
H 3.329421 -2.375664 1.331329
H 4.287502 -1.007491 1.899647
H 0.012508 4.996183 -0.249930
H 1.341277 5.291082 -1.378941
H 5.135760 -2.973392 -0.351403
H 6.081698 -1.562673 0.139329
H 0.187962 -1.366217 1.251755
H -0.641431 0.951552 -2.300429
H -2.214602 -2.046287 1.391056
H -3.055891 0.270809 -2.174708
H 2.629524 6.496324 0.450114
H 1.312791 6.186794 1.588826
H 1.046117 7.232283 0.190683
H 6.289722 -2.517682 2.486215
H 6.913341 -3.642887 1.277514
H 5.328695 -3.921558 2.004797
H -6.389687 -3.008727 -0.610128
H -6.409631 -1.242912 -0.774009
H -7.107760 -0.995410 1.642651
H -8.223140 -2.086787 0.808692
H -6.979383 -2.742847 1.887434


%chk=000238838-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238838

0 1
O 1.410348 1.499276 0.239442
O 2.010606 -0.765795 0.276357
O -4.377766 -1.180381 -0.441603
O 1.267744 2.608097 -1.813905
O 3.924456 0.054545 -0.794030
O -4.720846 -2.327570 1.591919
C 1.199443 0.190054 -0.467687
C -0.247609 -0.225428 -0.411096
C 1.892400 3.850936 0.237726
C 4.122148 -1.699948 0.947293
C -0.778194 -0.932016 0.692692
C -1.101390 0.137270 -1.482675
C 1.636574 5.187496 -0.489209
C 5.564616 -2.007415 0.493948
C 1.496228 2.639230 -0.584591
C 3.411729 -0.714505 0.041929
C -2.979835 -0.907783 -0.333443
C -2.144304 -1.282810 0.746720
C -2.466428 -0.201293 -1.444962
C 2.117423 6.393606 0.343880
C 6.290538 -2.940279 1.485007
C -5.157888 -1.868508 0.518389
C -6.588889 -1.944316 0.011934
C -7.532528 -2.653188 0.998683
H 1.580246 0.314791 -1.497419
H 1.361708 3.807425 1.206956
H 2.970478 3.746166 0.477815
H 3.511810 -2.619447 1.016914
H 4.127019 -1.264369 1.967941
H 0.555791 5.284282 -0.706514
H 2.146850 5.169359 -1.469462
H 5.540834 -2.468453 -0.511723
H 6.119864 -1.057957 0.383361
H -0.114072 -1.220113 1.512679
H -0.698240 0.696837 -2.333839
H -2.549002 -1.830561 1.597585
H -3.143413 0.068471 -2.260426
H 3.204441 6.334818 0.542095
H 1.599437 6.440800 1.320437
H 1.923457 7.343501 -0.186074
H 6.358560 -2.481896 2.489793
H 7.318895 -3.156076 1.143856
H 5.761623 -3.906210 1.590996
H -6.571980 -2.458125 -0.968654
H -6.927605 -0.912319 -0.201030
H -7.568119 -2.122669 1.965474
H -8.555065 -2.694088 0.584527
H -7.194887 -3.684046 1.199997


