%Chk=checkpoint.chk %NProcShared=32 %Mem=57139MB # opt(calcfc,ts,noeigentest,cartesian,recalcfc=10) freq wB97XD scrf=(cpcm,solvent=tetrahydrofuran) def2svpp integral=(acc2e=14,grid=superfinegrid,noxctest) Title Card Required 0 1 C -0.39965500 -0.92251100 0.75411400 H 0.16506300 -0.29586400 -0.32766300 O -0.89693800 0.01475300 1.48029700 Li -1.41381800 1.71779100 1.02053400 O -0.23279600 1.78880400 -0.43446400 C 0.33786500 0.85446800 -1.08490800 O -0.97981900 3.11805000 2.34741900 O -3.18055100 2.26408700 0.39667000 C -1.59689600 4.39815600 2.19957900 H -1.61477800 4.90801200 3.18270200 H -2.62714600 4.23396100 1.85550000 C 0.42649800 3.37388900 2.41968400 H 0.67871100 3.70402400 3.44586200 H 0.94701700 2.43094600 2.20433400 C -4.47648500 1.86735900 0.84547400 H -4.33954900 1.05523900 1.57543700 H -4.96285000 2.72189400 1.35314400 C -3.32819100 2.83170500 -0.90571100 H -2.33362200 2.82195700 -1.37329300 H -3.68434000 3.87717700 -0.81294500 C 0.78474100 -1.61607800 1.29181100 C 1.74422400 -2.19516500 1.76153300 C -0.69044800 -2.74010700 -1.05083600 H 0.12045000 -3.32890800 -0.58731400 H -0.22313500 -2.08874800 -1.81066900 C -1.38600400 -1.87540000 0.01844900 C -1.70681300 -3.68108900 -1.72210000 H -1.18984900 -4.29053800 -2.48467500 C -2.33121100 -4.60393200 -0.65972800 H -1.54466800 -5.21938300 -0.18494100 H -3.04787000 -5.29949300 -1.13472700 C -2.02880700 -2.81131700 1.07154200 H -2.52125600 -2.19467200 1.84380400 H -1.24003200 -3.40030500 1.57290200 C -3.04653200 -3.75254400 0.40492200 H -3.48927000 -4.41263400 1.17234500 C -4.15415400 -2.91921200 -0.26377700 H -4.90294200 -3.58558800 -0.73101900 H -4.68331600 -2.31394500 0.49588800 C -2.51144300 -1.06203300 -0.64857400 H -2.08444700 -0.37265500 -1.39489100 H -3.00756700 -0.44368500 0.11359700 C -2.81397800 -2.84644500 -2.39027200 H -2.37620200 -2.18925300 -3.16458200 H -3.53866200 -3.51078500 -2.89670900 C -3.52786900 -1.99726000 -1.32390800 H -4.31826000 -1.39119800 -1.80238300 C 2.15715400 1.99662700 -2.33133100 H 1.60492300 1.79637600 -3.26904300 H 1.78916400 2.95892300 -1.93341800 C 3.66690700 2.07530700 -2.61441600 H 3.85987400 2.87915900 -3.34753000 C 1.85676300 0.87679200 -1.30216100 C 2.35999900 -0.46313700 -1.87367300 H 1.80753500 -0.70407500 -2.80192700 H 2.15547800 -1.27348200 -1.15265800 C 4.14880700 0.72865000 -3.18346200 H 5.23064200 0.77633000 -3.40787100 H 3.62745400 0.51221200 -4.13450400 C 3.86991200 -0.38879700 -2.16255900 H 4.21317300 -1.35743000 -2.56799600 C 4.62066200 -0.08198400 -0.85413800 H 4.44424800 -0.88961900 -0.12195100 H 5.71001400 -0.04457100 -1.04132800 C 4.41466500 2.37950400 -1.30318200 H 4.08296200 3.35332200 -0.89736600 H 5.50091800 2.45787400 -1.49574100 C 2.62312800 1.19108100 -0.00402300 H 2.26809400 2.15140900 0.40195400 H 2.40786700 0.41583700 0.75038300 C 4.13523800 1.26211500 -0.28209500 H 4.67012800 1.47727000 0.66060700 C -5.25644100 1.44928200 -0.42188700 C -4.36950300 1.94317700 -1.59305100 C -0.70418100 5.14744500 1.19833500 C 0.68877500 4.48812500 1.38969900 H -0.69678200 6.23223500 1.38992600 H -1.07043300 4.98649300 0.17155500 H 1.44838500 5.19932900 1.75121700 H 1.04006900 4.04964800 0.44441400 H -6.25418100 1.91565300 -0.43621300 H -5.39882200 0.35829700 -0.46473500 H -4.94019700 2.49218800 -2.35846800 H -3.87072700 1.09339600 -2.08489000 H -0.18803600 0.45669600 -1.99091300 C 2.91238000 -2.89748100 2.31897100 C 3.60036700 -3.70424200 1.19570500 H 3.93639100 -3.03891100 0.38211300 H 4.48101400 -4.23802100 1.59601500 H 2.90682100 -4.44803300 0.76655300 C 2.44372400 -3.85797500 3.43422900 H 1.94482200 -3.30288700 4.24740600 H 1.73229600 -4.60307800 3.03763000 H 3.31039600 -4.39541000 3.85971400 C 3.89979100 -1.86408700 2.90450400 H 4.78438900 -2.37875400 3.32082000 H 4.24106200 -1.15928100 2.12730900 H 3.42394400 -1.28090600 3.71169600 B 1 2 F B 2 6 F