%NProcShared=32 %Mem=114278MB %chk=checkpoint.chk # freq b3lyp empiricaldispersion=gd3bj scrf=(cpcm,solvent=tetrahydrofuran) def2tzvpp integral=(acc2e=14,grid=superfinegrid,noxctest) Title Card Required 0 1 C 0.13411000 1.35082500 0.12168300 H 0.61342800 0.87849300 -0.78017300 O -0.76283300 0.53068900 0.70217100 Li -1.65132500 -1.00694800 0.24636800 O -0.27800000 -1.45246400 -1.23285600 C 0.63544300 -0.97004100 -1.87416700 O -2.65661000 -2.95106800 -0.57628900 O -1.42481500 -2.09375300 2.00195900 C -3.67617800 -3.58159000 0.20427900 H -4.65098500 -3.40786800 -0.26335600 H -3.66549000 -3.11217900 1.18303900 C -2.24374200 -3.89961800 -1.55786000 H -2.97063400 -3.92273500 -2.37975000 H -1.28165100 -3.57464300 -1.94284300 C -1.02350800 -1.29019600 3.12495700 H -1.28594100 -0.26349200 2.88812400 H -1.55234300 -1.63071600 4.02257800 C -0.53891600 -3.22710600 1.88969200 H -0.21157500 -3.27774500 0.85310800 H -1.09232400 -4.13754200 2.12530500 C 1.28186900 1.65903500 1.01794700 C 2.20096300 1.84372900 1.77658400 C -1.11331100 3.52258500 0.62619100 H -0.34376500 3.81612200 1.34558400 H -1.85011700 2.92463100 1.16438900 C -0.48132800 2.65872800 -0.47382300 C -1.76870000 4.77032800 0.01989900 H -2.21303300 5.37508100 0.81549300 C -0.70500200 5.59542300 -0.71889000 H 0.06917900 5.91849900 -0.01705800 H -1.15477200 6.49806500 -1.14293900 C 0.56887900 3.49672100 -1.21861500 H 1.03246700 2.88972600 -2.00327700 H 1.36368900 3.79086400 -0.52926400 C -0.07880200 4.74558900 -1.83460500 H 0.68168900 5.33177600 -2.35783700 C -1.17371400 4.32295900 -2.82435200 H -1.63086500 5.20711000 -3.27839500 H -0.73665800 3.73231300 -3.63476100 C -1.57737200 2.25500300 -1.47255800 H -2.31105300 1.63854800 -0.95584500 H -1.13665300 1.63647600 -2.26179500 C -2.86059000 4.34373000 -0.97168700 H -3.63175300 3.76742800 -0.45262900 H -3.34780000 5.22590200 -1.39755300 C -2.23581000 3.49471900 -2.08784900 H -3.01389300 3.18567500 -2.79176100 C 2.43629300 -2.45512300 -2.60525800 H 1.80673500 -3.31231100 -2.35558600 H 2.21889800 -2.17760500 -3.64020900 C 3.91917400 -2.82115800 -2.45555000 H 4.14571900 -3.65519300 -3.12391300 C 2.09203300 -1.27505200 -1.65414800 C 2.38500100 -1.69838700 -0.20925500 H 1.76296000 -2.55427300 0.05243600 H 2.12293700 -0.88424500 0.46607100 C 4.20184000 -3.22919100 -1.00248700 H 5.25258900 -3.51057200 -0.89436200 H 3.60282300 -4.10416100 -0.73592200 C 3.86858100 -2.05927900 -0.06625100 H 4.06758800 -2.34813200 0.96864900 C 4.73276200 -0.84606800 -0.43793100 H 4.50759900 -0.01106800 0.22786500 H 5.79180000 -1.08653800 -0.31284700 C 4.78488300 -1.60953300 -2.82618900 H 4.60377200 -1.32307100 -3.86570000 H 5.84338800 -1.86852000 -2.74140400 C 2.97167000 -0.06821300 -2.03191000 H 2.75368100 0.24264600 -3.05761200 H 2.73581800 0.77256800 -1.37830200 C 4.45326700 -0.43904300 -1.89148900 H 5.06463400 0.42719600 -2.15427700 H 0.41559600 -0.34018000 -2.75615600 C 0.47466300 -1.50549900 3.23833700 C 0.61891200 -2.98735400 2.86953400 C -3.33905900 -5.08634800 0.22658500 C -2.21161700 -5.23555200 -0.81945700 H -4.21209900 -5.68149500 -0.03679100 H -3.00817300 -5.40630000 1.21272800 H -2.36604100 -6.08072800 -1.48833900 H -1.24786300 -5.36556700 -0.32892900 H 0.85958300 -1.27830200 4.23172300 H 0.97543500 -0.86847400 2.51206000 H 0.50412300 -3.61387800 3.75451000 H 1.58404300 -3.21598200 2.42081400 C 3.31475300 2.06618300 2.70780900 C 4.48143500 2.74257500 1.96366900 H 5.31446700 2.91472500 2.64789000 H 4.83362000 2.11719200 1.14343000 H 4.16968700 3.70209300 1.55054000 C 2.84719300 2.97733600 3.85816500 H 3.66677400 3.14967900 4.55854300 H 2.51206100 3.94118300 3.47454100 H 2.01996600 2.51907100 4.40064200 C 3.78445300 0.71789500 3.28521400 H 2.97715700 0.22999200 3.83005500 H 4.11093300 0.04693900 2.49142300 H 4.61984100 0.87459400 3.97022700 O -3.59809100 -0.36616700 0.23314400 C -4.54321400 -0.33523200 -0.83736500 H -4.33753400 0.53170600 -1.47444400 C -4.08108100 0.55219300 1.21445500 H -3.83741800 1.57377000 0.90806000 H -3.56930900 0.33952300 2.14893100 C -5.91924100 -0.21096700 -0.16596700 H -6.56823100 0.46369400 -0.72161400 H -6.41446400 -1.17881400 -0.11122600 C -5.59372900 0.32176300 1.25199400 H -6.13452600 1.23599500 1.49050400 H -5.84496500 -0.42233400 2.00639100 H -4.40554800 -1.24227600 -1.41891500