PES

Click on ellipse to view 3D structure (run JSmol)
kcal/mol 20 19 18 ~ 17 12 11 10 9 ~ 8 5 4 3 2 1 ~ 0 -2 -3 -4 -5 ~ -6 -9 -10 -11 ~ -12 -16 -17 ~ -18 -20 -21 -21.18 kcal -21.18 kcal 330t -17.09 kcal -17.09 kcal 330t-330t -11.49 kcal -11.49 kcal 330s -3.30 kcal -3.30 kcal 330s-330t -9.83 kcal -9.83 kcal cp 4.21 kcal 4.21 kcal cp-cp 19.66 kcal 19.66 kcal cp-cp1 -5.07 kcal -5.07 kcal cp1 1.18 kcal 1.18 kcal tr2 1.94 kcal 1.94 kcal tr2-330t 3.32 kcal 3.32 kcal 320s1 3.14 kcal 3.14 kcal 420s1 4.29 kcal 4.29 kcal 420s1-tr2 9.16 kcal 9.16 kcal 420s1-cp 18.33 kcal 18.33 kcal 420s1-320s 19.10 kcal 19.10 kcal 420s1--320s 8.76 kcal 8.76 kcal 420ss1 17.60 kcal 17.60 kcal 420ss1-320s1 10.80 kcal 10.80 kcal 320s-320s1 10.72 kcal 10.72 kcal 320s