GMTKN55 RSE43
-------------
References
^^^^^^^^^^
| GMTKN55: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn55
| L. Goerigk, A. Hansen. C. A. Bauer, S. Ehrlich, A. Najibi and S. Grimme in Phys. Chem. Chem. Phys., 2017: https://doi.org/10.1039/C7CP04913G
| L. Goerigk; S. Grimme, J. Chem. Theory Comput., 2010, 6, 107-126: https://doi.org/10.1021/ct900489g

Molecules
^^^^^^^^^
P4
P3
P2
P5
P19
P26
P21
P28
P17
E32
E35
P10
P44
P43
P11
E34
P29
E33
P16
P20
P18
P27
P42
P45
E5
E42
E2
E45
E20
E27
E18
E11
P34
P33
E16
E29
E3
E44
E4
E43
E17
P32
E28
P35
E10
E26
E19
E21
P7
P9
P8
P6
P1
P40
E38
P22
P25
E36
P13
E31
P41
E30
P15
P12
E37
P24
E39
P23
E24
E23
P39
P30
E15
E12
P37
E1
E6
E41
E8
P36
E13
P31
E22
P38
E25
E9
E7
E40

Reactions
^^^^^^^^^
| 1: E2 + P1 -> E1 + P2, energy = -0.024382102032000003
| 2: E3 + P1 -> E1 + P3, energy = 0.00318720288
| 3: E4 + P1 -> E1 + P4, energy = 0.010995849936
| 4: E5 + P1 -> E1 + P5, energy = -0.001115521008
| 5: E6 + P1 -> E1 + P6, energy = 0.000159360144
| 6: E7 + P1 -> E1 + P7, energy = 0.002231042016
| 7: E8 + P1 -> E1 + P8, energy = -0.00478080432
| 8: E9 + P1 -> E1 + P9, energy = -0.00239040216
| 9: E10 + P1 -> E1 + P10, energy = -0.00318720288
| 10: E11 + P1 -> E1 + P11, energy = -0.028206745488
| 11: E12 + P1 -> E1 + P12, energy = -0.016095374544
| 12: E13 + P1 -> E1 + P13, energy = -0.013386252096000001
| 13: E15 + P1 -> E1 + P15, energy = -0.010199049216
| 14: E16 + P1 -> E1 + P16, energy = -0.010358409360000001
| 15: E17 + P1 -> E1 + P17, energy = -0.010517769504
| 16: E18 + P1 -> E1 + P18, energy = -0.010358409360000001
| 17: E19 + P1 -> E1 + P19, energy = -0.004940164464
| 18: E20 + P1 -> E1 + P20, energy = -0.006055685472
| 19: E21 + P1 -> E1 + P21, energy = -0.019920018
| 20: E22 + P1 -> E1 + P22, energy = 0.0074899267680000004
| 21: E23 + P1 -> E1 + P23, energy = -0.020876178864
| 22: E24 + P1 -> E1 + P24, energy = -0.017848336128
| 23: E25 + P1 -> E1 + P25, energy = -0.014183052816
| 24: E26 + P1 -> E1 + P26, energy = -0.021194899152000003
| 25: E27 + P1 -> E1 + P27, energy = -0.00557760504
| 26: E28 + P1 -> E1 + P28, energy = -0.006055685472
| 27: E29 + P1 -> E1 + P29, energy = -0.004621444176
| 28: E30 + P1 -> E1 + P30, energy = -0.00956160864
| 29: E31 + P1 -> E1 + P31, energy = -0.010199049216
| 30: E32 + P1 -> E1 + P32, energy = -0.006852486192
| 31: E33 + P1 -> E1 + P33, energy = 0.000956160864
| 32: E34 + P1 -> E1 + P34, energy = -0.01832641656
| 33: E35 + P1 -> E1 + P35, energy = -0.014501773104
| 34: E36 + P1 -> E1 + P36, energy = 0.003824643456
| 35: E37 + P1 -> E1 + P37, energy = -0.016095374544
| 36: E38 + P1 -> E1 + P38, energy = -0.000637440576
| 37: E39 + P1 -> E1 + P39, energy = -0.00557760504
| 38: E40 + P1 -> E1 + P40, energy = -0.036812193264
| 39: E41 + P1 -> E1 + P41, energy = -0.039999396144000006
| 40: E42 + P1 -> E1 + P42, energy = -0.042071078016
| 41: E43 + P1 -> E1 + P43, energy = -0.020876178864
| 42: E44 + P1 -> E1 + P44, energy = -0.010677129648
| 43: E45 + P1 -> E1 + P45, energy = -0.0036652833119999997