%chk=000229712.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229712

0 1
O 1.775189 0.272998 -1.168726
O 1.775330 0.275863 1.167568
C 3.851385 -0.351583 0.000058
C 3.214956 0.305576 -1.251028
C 3.215111 0.308626 1.249615
C 1.247250 0.926996 -0.001341
C 3.556891 -1.855006 0.001912
C 5.362980 -0.093567 -0.000347
C -0.234172 0.660455 -0.000923
C -2.996596 0.167325 -0.000153
C -4.494119 -0.078947 0.000236
C -1.136437 1.732447 -0.001687
C -0.712401 -0.656810 0.000228
C -2.510432 1.484746 -0.001302
C -2.086943 -0.900751 0.000606
C -4.912825 -0.833991 1.268290
C -4.913164 -0.835733 -1.266668
H 3.542963 1.348826 -1.388824
H 3.405373 -0.269060 -2.174459
H 3.405626 -0.263769 2.174418
H 3.543139 1.352205 1.384836
H 1.545160 1.993487 -0.002674
H 2.467525 -2.019436 0.002202
H 3.965273 -2.354273 -0.881469
H 3.965423 -2.352122 0.886434
H 5.604259 0.974354 -0.001666
H 5.842556 -0.537156 0.880169
H 5.842449 -0.539306 -0.879836
H -5.024518 0.908977 -0.000367
H -0.773051 2.758664 -0.002573
H 0.002452 -1.481434 0.000808
H -3.205353 2.322129 -0.001898
H -2.452878 -1.925635 0.001496
H -4.476179 -1.838051 1.309002
H -6.000663 -0.947364 1.320194
H -4.588222 -0.302334 2.170392
H -4.588866 -0.305281 -2.169588
H -6.001009 -0.949244 -1.318089
H -4.476463 -1.839819 -1.306149


%chk=000229712-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229712

0 1
O 1.805815 0.091945 -1.206387
O 1.805955 0.094748 1.205679
C 3.964540 -0.340115 0.000025
C 3.270878 0.277173 -1.245808
C 3.271025 0.280092 1.244495
C 1.248702 0.719448 -0.001050
C 3.794617 -1.877379 0.001838
C 5.459894 0.050147 -0.000513
C -0.246073 0.532871 -0.000760
C -3.080096 0.165998 -0.000157
C -4.599315 -0.025013 0.000117
C -1.111596 1.647730 -0.001515
C -0.800585 -0.770894 0.000307
C -2.512991 1.464101 -0.001214
C -2.197482 -0.948615 0.000602
C -5.082633 -0.760737 1.278569
C -5.082796 -0.762853 -1.277059
H 3.502033 1.366098 -1.304768
H 3.602538 -0.212978 -2.176585
H 3.602794 -0.207872 2.176378
H 3.502186 1.369153 1.300869
H 1.539221 1.799942 -0.002304
H 2.725304 -2.148240 0.002298
H 4.266683 -2.325777 -0.892780
H 4.266941 -2.323686 0.897364
H 5.596964 1.149015 -0.001928
H 5.971878 -0.355404 0.892405
H 5.971841 -0.357682 -0.892413
H -5.061486 0.982996 -0.000687
H -0.694374 2.662517 -0.002337
H -0.128927 -1.635195 0.000873
H -3.175280 2.338866 -0.001810
H -2.607491 -1.966015 0.001418
H -4.663783 -1.783070 1.330770
H -6.185480 -0.847020 1.283425
H -4.771273 -0.221624 2.191383
H -4.771491 -0.225290 -2.190804
H -6.185649 -0.849083 -1.281667
H -4.664008 -1.785297 -1.327573


