GMTKN30 ACONF

References

GMTKN30: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn30

L. Goerigk, and S. Grimme in Phys. J. Chem. Theory Comput., 2011: https://doi.org/10.1021/ct100466k

Molecules

P_GX B_G H_tgt H_t+g+x- H_gtg H_x+g-g- H_x+g-x+ P_TT B_T P_TG H_ttt H_ggg H_tgg H_g+x-g- H_g+x-t+ H_g+t+g- H_gtt P_GG

Reactions

1: B_T -> B_G, energy = 0.00095297366112

2: P_TT -> P_TG, energy = 0.00097847128416

3: P_TT -> P_GG, energy = 0.0015314509838399999

4: P_TT -> P_GX, energy = 0.00448280085072

5: H_ttt -> H_gtt, energy = 0.0009481928567999999

6: H_ttt -> H_tgt, energy = 0.00096253526976

7: H_ttt -> H_tgg, energy = 0.0014884237449600002

8: H_ttt -> H_gtg, energy = 0.0018772624963199998

9: H_ttt -> H_g+t+g-, energy = 0.0020748690748800002

10: H_ttt -> H_ggg, energy = 0.0019920018

11: H_ttt -> H_g+x-t+, energy = 0.00419435899008

12: H_ttt -> H_t+g+x-, energy = 0.004366467945600001

13: H_ttt -> H_g+x-g-, energy = 0.00523179352752

14: H_ttt -> H_x+g-g-, energy = 0.004913073239520001

15: H_ttt -> H_x+g-x+, energy = 0.007848487091999999