%chk=000109416.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109416 0 1 O -2.069500 1.257600 1.7300000E-02 O -0.4665000 -2.026900 7.8699999E-02 C -1.881200 -0.1210000 0.3790000 C -0.5921000 -0.6409000 -0.2271000 C -3.118500 -0.8580000 -0.1037000 C -4.185600 0.1907000 8.5500002E-02 C 0.6229000 0.1085000 0.3276000 C -3.453500 1.456500 -0.3073000 C 1.937300 -0.3912000 -0.2823000 C 3.134400 0.3894000 0.2638000 C 4.442000 -8.0399998E-02 -0.3735000 C 5.630400 0.7157000 0.1419000 H -1.840500 -0.1722000 1.475100 H -0.6127000 -0.5325000 -1.317900 H -3.313700 -1.778100 0.4543000 H -3.037900 -1.111000 -1.167900 H 0.6737000 -2.4300000E-02 1.416000 H 0.5227000 1.182800 0.1330000 H -5.085700 1.6100001E-02 -0.5095000 H -4.476500 0.2390000 1.141600 H -3.519600 1.633700 -1.386000 H -3.831600 2.339600 0.2154000 H 2.071900 -1.457500 -6.5600000E-02 H 1.896100 -0.2848000 -1.373100 H 3.189400 0.2663000 1.352300 H 2.995200 1.459300 6.6299997E-02 H 4.599500 -1.143800 -0.1590000 H 4.385100 2.6100000E-02 -1.463100 H -0.4375000 -2.119300 1.046300 H 5.734900 0.6067000 1.226200 H 5.519000 1.780200 -8.7600000E-02 H 6.554700 0.3623000 -0.3256000 %chk=000109416-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000109416 0 1 O -2.110167 1.280794 0.284843 O -0.525365 -2.147061 0.138444 C -1.944711 -0.173055 0.596439 C -0.633977 -0.678463 -0.048896 C -3.219369 -0.884606 0.069495 C -4.247776 0.265151 -0.097011 C 0.612923 0.055409 0.474459 C -3.347754 1.442479 -0.515307 C 1.897366 -0.282700 -0.312480 C 3.163229 0.368744 0.287422 C 4.446935 0.055790 -0.514796 C 5.710683 0.702903 0.092013 H -1.865322 -0.243300 1.702500 H -0.711488 -0.563934 -1.145982 H -3.570774 -1.673439 0.753747 H -3.002927 -1.362357 -0.903315 H 0.752597 -0.195150 1.550234 H 0.411806 1.143247 0.430378 H -5.025593 0.034947 -0.845771 H -4.741662 0.487845 0.866151 H -3.109782 1.397891 -1.599206 H -3.758906 2.436832 -0.273718 H 2.025488 -1.383080 -0.350500 H 1.776324 0.053654 -1.363335 H 3.294836 0.022509 1.334529 H 3.024530 1.469160 0.340642 H 4.582029 -1.043836 -0.569704 H 4.316683 0.404389 -1.559750 H -0.319441 -2.317938 1.093992 H 5.879185 0.348430 1.126651 H 5.613143 1.804574 0.127814 H 6.613858 0.462773 -0.498884