%chk=000190621.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190621

0 1
O -0.486569 -1.885944 -2.943783
O 0.216550 1.892317 0.763331
O -1.684898 3.753345 1.519933
O -3.477894 -0.768085 -0.461755
C -0.533059 -1.681132 -0.528296
C -0.643207 -2.671508 -1.742524
C 0.785378 -2.056205 0.131134
C 0.582096 -3.626807 -1.636441
C -0.632799 -0.204051 -0.939474
C 1.278823 -1.303189 1.334028
C 1.365122 -3.113032 -0.460427
C -1.985187 -3.390869 -1.785341
C -1.546418 0.580508 -0.047131
C 2.720299 -0.784043 1.136571
C 1.194237 -2.196524 2.581048
C -1.112922 1.565395 0.766776
C -3.001384 0.285657 -0.105222
C 2.834497 0.115341 -0.103100
C -1.974605 2.364798 1.729252
C -3.896150 1.455932 0.290549
C -3.474255 2.061039 1.625636
C 4.035053 1.006982 -0.044188
C 4.047172 2.299109 -0.406299
C 5.301102 3.119870 -0.332631
C 2.845895 3.030842 -0.921041
H -1.362878 -1.916547 0.185466
H 1.184929 -3.583746 -2.562249
H 0.283350 -4.677949 -1.497522
H -0.998750 -0.130298 -1.991929
H 0.383593 0.257134 -0.956496
H 0.619493 -0.409786 1.499406
H 2.291212 -3.585004 -0.183143
H -2.811263 -2.657540 -1.759256
H -2.106840 -4.002513 -2.682288
H -2.123589 -4.045497 -0.917569
H 3.425633 -1.630830 1.054113
H 3.024866 -0.220962 2.039476
H 0.172137 -2.558684 2.736279
H 1.840027 -3.077037 2.490078
H 1.498151 -1.653968 3.481373
H -0.778747 -2.379929 -3.727889
H 2.887911 -0.512869 -1.018432
H 1.894280 0.712655 -0.220293
H -1.614360 2.216392 2.780743
H -3.871186 2.210053 -0.521299
H -4.951658 1.114884 0.339429
H -4.044915 2.994247 1.819005
H -3.761302 1.369982 2.447088
H 4.941271 0.520398 0.314642
H 0.390371 2.717815 1.304811
H -2.037844 4.059848 0.655139
H 5.510727 3.610781 -1.291983
H 6.184042 2.521785 -0.075849
H 5.210429 3.907548 0.426769
H 2.787276 4.052456 -0.530438
H 1.906615 2.514819 -0.654987
H 2.873642 3.096216 -2.017303


%chk=000190621-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190621

0 1
O -0.487807 -1.875595 -3.114749
O -1.049349 2.329169 -0.263687
O -3.248649 3.571075 1.132626
O -3.823761 -1.560806 0.216974
C -0.785700 -1.679165 -0.705061
C -0.620173 -2.703060 -1.882203
C 0.649597 -1.478857 -0.188267
C 0.739550 -3.418475 -1.591063
C -1.569985 -0.398129 -1.139200
C 1.003713 -0.394410 0.819706
C 1.468666 -2.447913 -0.680899
C -1.814173 -3.659036 -2.038786
C -2.307611 0.293479 -0.008350
C 2.522796 -0.099012 0.925503
C 0.428915 -0.763964 2.218880
C -2.022791 1.577413 0.402287
C -3.492388 -0.385632 0.574844
C 3.119469 0.570786 -0.343193
C -2.639641 2.287289 1.593678
C -4.387447 0.412765 1.532878
C -3.580695 1.387867 2.412250
C 4.616346 0.774503 -0.236565
C 5.322317 1.941637 -0.290894
C 6.838184 1.944010 -0.156232
C 4.706976 3.316154 -0.492591
H -1.391280 -2.186323 0.073572
H 1.290097 -3.632922 -2.528890
H 0.574295 -4.393331 -1.086121
H -2.315177 -0.718518 -1.889904
H -0.888442 0.302194 -1.645997
H 0.511841 0.543861 0.491371
H 2.532380 -2.555376 -0.445139
H -2.745490 -3.090065 -2.204443
H -1.664234 -4.347474 -2.894170
H -1.953653 -4.271271 -1.129962
H 3.073165 -1.036297 1.148548
H 2.694427 0.570434 1.792489
H -0.653136 -0.983443 2.167829
H 0.937605 -1.660301 2.620221
H 0.580036 0.065654 2.936126
H -0.365597 -2.490876 -3.882075
H 2.893752 -0.073531 -1.216578
H 2.594307 1.527489 -0.523353
H -1.824041 2.654633 2.245194
H -5.132641 0.957305 0.915533
H -4.958433 -0.302656 2.148953
H -4.243728 2.031747 3.017639
H -2.964205 0.800965 3.119892
H 5.192751 -0.153809 -0.085685
H -1.136438 3.283601 0.002805
H -4.023609 3.365210 0.547464
H 7.318381 2.379395 -1.055834
H 7.238700 0.924878 -0.014611
H 7.161716 2.563269 0.704829
H 4.991056 3.996363 0.335430
H 3.606964 3.290745 -0.551921
H 5.085771 3.779959 -1.425600


