%chk=000183840.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183840

0 1
O -0.846467 3.037452 0.473722
O 5.383769 1.378785 0.057673
O -5.563491 0.366286 -1.126569
C 0.825133 -0.918148 -0.058631
C -0.506870 -0.771605 0.760280
C -1.214216 0.604608 0.553503
C 1.739466 0.292186 0.327620
C -0.235091 1.774514 0.768428
C 3.204675 0.204795 -0.197211
C -2.401634 0.658872 1.570468
C 1.051251 1.613285 -0.052504
C -1.490376 -1.937080 0.487023
C -3.407466 -0.276808 0.850344
C 1.529247 -2.226190 0.393933
C -2.913488 -1.726579 1.041183
C -1.970092 0.639155 -0.775651
C 3.816135 -1.153300 0.234534
C 0.541973 -0.989614 -1.565113
C 2.948689 -2.347973 -0.168496
C -3.207510 0.142099 -0.607252
C 4.020891 1.336443 0.502463
C 3.339884 0.399445 -1.710490
C -4.279081 -0.047345 -1.623640
H -0.229129 -0.820841 1.843418
H 1.823693 0.266439 1.447889
H -0.001349 1.895530 1.853849
H -2.787898 1.686231 1.671402
H -2.132974 0.318136 2.576966
H 1.712491 2.482514 0.131536
H 0.829408 1.639188 -1.136312
H -1.075728 -2.870724 0.910054
H -1.555643 -2.101965 -0.609778
H -4.451401 -0.156307 1.191465
H 0.932852 -3.101676 0.075493
H 1.564817 -2.271108 1.498717
H -3.608552 -2.428004 0.543697
H -2.942902 -1.978860 2.117423
H -1.506542 0.994665 -1.675279
H 3.961180 -1.164379 1.332247
H 4.824290 -1.261786 -0.209132
H 1.437872 -1.292123 -2.126017
H -0.253512 -1.711576 -1.788455
H 0.227491 -0.018608 -1.964492
H 3.413887 -3.285838 0.191094
H 2.911830 -2.433370 -1.273082
H 4.011411 1.239151 1.601006
H 3.649250 2.341155 0.221222
H 4.394954 0.521106 -1.993248
H 2.936094 -0.455540 -2.267751
H 2.817092 1.296812 -2.055964
H -1.224030 3.049580 -0.426433
H -4.443415 -1.122399 -1.848963
H -4.078552 0.496056 -2.566418
H 5.823518 0.520987 0.219437
H -5.515533 1.285472 -0.792305


%chk=000183840-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183840

0 1
O -0.898935 3.087971 0.406615
O 5.483111 1.263377 0.439422
O -5.715146 0.605721 -1.063713
C 0.835035 -0.943869 -0.176612
C -0.502693 -0.784891 0.659142
C -1.233055 0.614100 0.515350
C 1.746854 0.291754 0.200788
C -0.242093 1.790861 0.668145
C 3.262290 0.224439 -0.226671
C -2.354795 0.655496 1.603033
C 1.039551 1.623089 -0.170162
C -1.523370 -1.944920 0.437608
C -3.421829 -0.276791 0.977234
C 1.552502 -2.246787 0.301311
C -2.901598 -1.741234 1.132537
C -2.104710 0.659870 -0.754066
C 3.852363 -1.146702 0.231338
C 0.561844 -1.058922 -1.701466
C 3.007180 -2.362866 -0.200212
C -3.346937 0.154925 -0.496828
C 4.019227 1.346697 0.561945
C 3.540257 0.459373 -1.735504
C -4.459903 -0.063547 -1.482726
H -0.181394 -0.829688 1.725605
H 1.784177 0.265833 1.318561
H 0.048289 1.868463 1.734645
H -2.728600 1.690620 1.705657
H -1.998239 0.303293 2.588962
H 1.683480 2.497007 0.031370
H 0.794349 1.657048 -1.249385
H -1.085154 -2.898355 0.786421
H -1.706470 -2.060794 -0.645901
H -4.431694 -0.170537 1.409630
H 0.978464 -3.133949 -0.028506
H 1.558044 -2.264978 1.412664
H -3.627990 -2.465288 0.714339
H -2.822790 -1.958482 2.216287
H -1.747247 0.954651 -1.748452
H 3.924209 -1.150874 1.342613
H 4.881203 -1.256126 -0.166649
H 1.481041 -1.300285 -2.257753
H -0.160530 -1.867615 -1.910600
H 0.154205 -0.131630 -2.135242
H 3.462778 -3.288983 0.201904
H 3.028124 -2.466128 -1.302370
H 3.717685 1.321471 1.633066
H 3.785734 2.342360 0.151566
H 4.609452 0.708157 -1.866763
H 3.322877 -0.427106 -2.354579
H 2.945884 1.303054 -2.130413
H -1.410242 3.007297 -0.440447
H -4.749100 -1.128819 -1.536370
H -4.157615 0.269074 -2.498174
H 5.798235 0.450855 0.909214
H -5.516015 1.564514 -0.908504


