%chk=000225607.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225607

0 1
O -2.843891 -0.526927 -1.589168
O -1.063619 1.164716 2.672524
C -1.117725 -0.719944 0.038413
C -1.177765 0.805989 0.314457
C 0.423272 -0.617898 -0.174446
C 0.370704 0.898176 0.208992
C -1.930848 -1.189574 -1.151818
C -1.756416 1.129669 1.680085
C 1.238143 -1.499333 0.724612
C 0.951480 1.846447 -0.795125
C -1.546323 -2.560623 -1.718051
C -3.265812 1.384879 1.697254
C 2.082902 -2.468592 0.162401
C 0.282115 3.022818 -1.161304
C 1.159908 -1.377083 2.121340
C 2.217378 1.575208 -1.342102
C -1.192018 -2.399348 -3.196910
C -2.723088 -3.516429 -1.512778
C -3.493386 2.885665 1.498091
C -3.867103 0.887942 3.010907
C 2.839979 -3.304573 0.988559
C 0.862556 3.906201 -2.076677
C 1.918776 -2.213817 2.942058
C 2.792852 2.460511 -2.255507
C 2.759528 -3.179808 2.378484
C 2.115867 3.626869 -2.628198
H -1.390360 -1.341887 0.917925
H -1.714184 1.357637 -0.488017
H 0.707748 -0.761405 -1.238044
H 0.835240 1.107459 1.204262
H -0.655823 -2.964792 -1.173342
H -3.742579 0.830158 0.846690
H 2.155656 -2.572910 -0.918290
H -0.690106 3.257203 -0.732113
H 0.508698 -0.618643 2.569729
H 2.756231 0.676168 -1.045659
H -0.322161 -1.749039 -3.340413
H -0.963397 -3.366953 -3.657830
H -2.027370 -1.957984 -3.760052
H -2.516116 -4.497745 -1.955647
H -3.637587 -3.131824 -1.986449
H -2.940000 -3.674267 -0.450803
H -3.091084 3.238210 0.541966
H -4.564969 3.121043 1.505535
H -3.028018 3.474710 2.299256
H -4.925907 1.156301 3.092700
H -3.345174 1.322856 3.875953
H -3.791275 -0.200890 3.103533
H 3.494770 -4.053697 0.546654
H 0.334771 4.815980 -2.358554
H 1.855993 -2.111085 4.024756
H 3.773368 2.243625 -2.676350
H 3.350124 -3.830147 3.020399
H 2.565142 4.314676 -3.340990


%chk=000225607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225607

0 1
O -2.634379 -0.825149 -1.860048
O -1.663522 1.176397 2.515334
C -1.074500 -0.771230 0.001529
C -1.236561 0.785262 0.163251
C 0.472863 -0.549863 -0.318081
C 0.318093 0.882244 0.325982
C -1.887997 -1.472157 -1.072529
C -2.115091 1.198425 1.334373
C 1.476491 -1.537722 0.230617
C 1.065346 2.042675 -0.300631
C -1.752850 -3.000776 -1.144769
C -3.562792 1.595206 1.016141
C 2.358409 -2.225173 -0.643824
C 0.497715 3.342195 -0.332272
C 1.560508 -1.805517 1.623980
C 2.367708 1.859471 -0.834269
C -1.967432 -3.529212 -2.578102
C -2.783684 -3.622732 -0.153336
C -3.570528 3.058655 0.476553
C -4.488208 1.443095 2.238580
C 3.301049 -3.152540 -0.145764
C 1.209679 4.430415 -0.884264
C 2.501062 -2.731020 2.124805
C 3.081867 2.945410 -1.387689
C 3.375528 -3.408951 1.242265
C 2.505520 4.236375 -1.415771
H -1.165263 -1.296213 0.970895
H -1.602793 1.203110 -0.790685
H 0.601189 -0.441921 -1.411910
H 0.541892 0.826933 1.410665
H -0.737416 -3.269482 -0.788756
H -3.905236 0.939472 0.188614
H 2.305246 -2.029202 -1.722621
H -0.503994 3.506300 0.082255
H 0.893227 -1.283803 2.321731
H 2.828154 0.864677 -0.808002
H -1.199411 -3.139965 -3.270358
H -1.918887 -4.633058 -2.592728
H -2.952510 -3.211805 -2.961269
H -2.675094 -4.721872 -0.144261
H -3.814326 -3.379200 -0.468495
H -2.640051 -3.259931 0.880901
H -2.930221 3.176861 -0.416159
H -4.599291 3.341813 0.191334
H -3.223861 3.760692 1.256937
H -5.516190 1.759921 1.985272
H -4.123949 2.059608 3.078589
H -4.523057 0.396106 2.589046
H 3.974729 -3.672189 -0.836448
H 0.755236 5.427728 -0.899136
H 2.555484 -2.922880 3.202344
H 4.087216 2.785513 -1.794087
H 4.105798 -4.126390 1.632687
H 3.058182 5.079296 -1.845515


