GMTKN30 ISOL22
References
L. Goerigk, and S. Grimme in Phys. J. Chem. Theory Comput., 2011: https://doi.org/10.1021/ct100466k
Molecules
i12e i3p i23e i5p i21p i19e i16p i24p i5e i18e i20p i24e i16e i8e i14p i9p i7p i6e i13e i17p i9e i18p i19p i11p i12p i11e i23p i2p i15p i15e i6p i22p i7e i17e i3e i10e i8p i13p i20e i21e i22e i14e i10p i2e
Reactions
1: i2e -> i2p, energy = 0.0646842824496
2: i3e -> i3p, energy = 0.0186132648192
3: i5e -> i5p, energy = 0.055680434313599994
4: i6e -> i6p, energy = 0.041258341281600004
5: i7e -> i7p, energy = 0.0299437710576
6: i8e -> i8p, energy = 0.029162906352
7: i9e -> i9p, energy = 0.0355532481264
8: i10e -> i10p, energy = 0.0126053873904
9: i11e -> i11p, energy = 0.060764022907200003
10: i12e -> i12p, energy = 0.0015298573824
11: i13e -> i13p, energy = 0.055903538515199996
12: i14e -> i14p, energy = 0.008286727488
13: i15e -> i15p, energy = 0.0061672375728
14: i16e -> i16p, energy = 0.0359994565296
15: i17e -> i17p, energy = 0.0176411679408
16: i18e -> i18p, energy = 0.041561125555199994
17: i19e -> i19p, energy = 0.027123096508799998
18: i20e -> i20p, energy = 0.0072030785087999994
19: i21e -> i21p, energy = 0.0213223872672
20: i22e -> i22p, energy = 0.0007649286912
21: i23e -> i23p, energy = 0.0439993357584
22: i24e -> i24p, energy = 0.025577303112000002