%nproc=16
%mem=370mw
%chk=TS2.chk
#p freq wb97xd/6-311G** scrf=(smd, solvent=acetonitrile)

TS2 Isomerization (5MCC-Int convertion into 6MCC-Int1)

0 1
 C                 -2.39809200    0.22626900    2.12899900
 H                 -1.67255200    1.04644800    2.06315600
 H                 -2.30108200   -0.23197000    3.11411600
 C                 -3.80372000    0.74937800    1.90126400
 H                 -4.52865500   -0.04430000    2.10366900
 H                 -4.01497600    1.58316300    2.57258300
 C                 -3.93637400    1.21798800    0.46367900
 H                 -4.98190600    1.41994200    0.22193200
 H                 -3.36930300    2.14258900    0.30881400
 N                 -2.09543100   -0.78553900    1.13296500
 H                 -1.31511600   -1.47314200    1.30275800
 C                 -3.80866200    0.41318500   -1.88183800
 H                 -4.83531100    0.78191400   -1.91114300
 H                 -3.15946500    1.19236100   -2.29889300
 C                 -3.67989100   -0.87051200   -2.68091100
 H                 -3.80711500   -0.65173000   -3.74218000
 H                 -4.46044600   -1.57528100   -2.38053400
 C                 -2.31522000   -1.48025200   -2.42988100
 H                 -2.23220700   -2.46663600   -2.88696300
 H                 -1.52843500   -0.84290400   -2.85148900
 C                 -2.55613100   -0.71956100   -0.10965400
 N                 -3.46123500    0.20223800   -0.47648700
 N                 -2.12193400   -1.63477300   -0.99667100
 H                 -1.30251600   -2.16825100   -0.72483500
 C                  1.93275200   -1.83987000    1.90617600
 C                  1.59674100   -0.33852200    1.85781000
 C                  1.42665000    0.14022200    0.40632400
 C                  0.71764300   -2.64882800    2.36963100
 C                  1.00445300   -2.18024600   -0.15716100
 H                  0.65349000   -0.16230300    2.37949900
 H                  0.30901300   -2.21794500    3.29769700
 H                  2.84663500   -2.04296000    2.46282300
 H                  2.36240700    0.24578000    2.36634800
 H                  1.03431700   -3.68300800    2.59172800
 O                  0.68634600   -0.83422700   -0.32176900
 O                 -0.15628900   -2.58276600    1.30302800
 O                  0.70750900   -2.92423400   -1.07649300
 O                  2.14310500   -2.35170800    0.58369300
 C                  2.77008900    0.40213400   -0.29866500
 C                  2.99473400   -0.07589800   -1.58880000
 C                  3.75735900    1.18119600    0.30588400
 C                  4.18355400    0.20544900   -2.25328000
 H                  2.23825400   -0.68354700   -2.06985900
 C                  4.94592500    1.46388000   -0.35760800
 H                  3.60367400    1.58421900    1.30095000
 C                  5.16564300    0.97566400   -1.64109300
 H                  4.34122000   -0.18198800   -3.25421900
 H                  5.70154800    2.06891200    0.13184000
 H                  6.09317300    1.19429600   -2.15877300
 C                  0.60103200    1.42509300    0.32302000
 C                  0.72796700    2.42526400    1.28649500
 C                 -0.27172200    1.62881100   -0.74595300
 C                 -0.00518700    3.60321700    1.18712200
 H                  1.39903000    2.29197900    2.12742100
 C                 -1.00142100    2.80691500   -0.84651800
 H                 -0.38986600    0.85422800   -1.49359700
 C                 -0.87373600    3.79924500    0.11996000
 H                  0.10304500    4.36713100    1.94942000
 H                 -1.68012700    2.94593100   -1.68123900
 H                 -1.44818900    4.71575000    0.04263400

