GMTKN55 BUT14DIOL
-----------------
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

Molecules
^^^^^^^^^
B44
B43
B26
B19
B21
B17
B28
B10
B42
B45
B11
B16
B29
B20
B27
B18
B5
B2
B3
B4
B34
B33
B58
B60
B56
B51
B32
B35
B50
B57
B61
B59
B22
B25
B13
B14
B40
B47
B49
B15
B12
B24
B23
B48
B46
B41
B8
B1
B6
B7
B9
B63
B64
B52
B55
B39
B30
B37
B54
B53
B65
B62
B36
B31
B38

Reactions
^^^^^^^^^
| 1: B1 -> B2, energy = 0.000239040216
| 2: B1 -> B3, energy = 0.000478080432
| 3: B1 -> B4, energy = 0.0020876178864000002
| 4: B1 -> B5, energy = 0.0022947860736
| 5: B1 -> B6, energy = 0.0027409944768
| 6: B1 -> B7, energy = 0.0032987549808
| 7: B1 -> B8, energy = 0.0028206745488000002
| 8: B1 -> B9, energy = 0.00358560324
| 9: B1 -> B10, energy = 0.0032350109232
| 10: B1 -> B11, energy = 0.0033465630240000002
| 11: B1 -> B12, energy = 0.00318720288
| 12: B1 -> B13, energy = 0.003426243096
| 13: B1 -> B14, energy = 0.0035377951968
| 14: B1 -> B15, energy = 0.0038565154848
| 15: B1 -> B16, energy = 0.0035537312112
| 16: B1 -> B17, energy = 0.00358560324
| 17: B1 -> B18, energy = 0.0041114917152
| 18: B1 -> B19, energy = 0.0041274277296
| 19: B1 -> B20, energy = 0.0041911717872
| 20: B1 -> B21, energy = 0.0039521315712
| 21: B1 -> B22, energy = 0.004366467945600001
| 22: B1 -> B23, energy = 0.004063683672
| 23: B1 -> B24, energy = 0.0040318116432
| 24: B1 -> B25, energy = 0.004334595916800001
| 25: B1 -> B26, energy = 0.0042867878736
| 26: B1 -> B27, energy = 0.0039680675856
| 27: B1 -> B28, energy = 0.004334595916800001
| 28: B1 -> B29, energy = 0.0045098920752000005
| 29: B1 -> B30, energy = 0.004541764104
| 30: B1 -> B31, energy = 0.004541764104
| 31: B1 -> B32, energy = 0.0040158756288
| 32: B1 -> B33, energy = 0.0041911717872
| 33: B1 -> B34, energy = 0.004940164464
| 34: B1 -> B35, energy = 0.004334595916800001
| 35: B1 -> B36, energy = 0.0045098920752000005
| 36: B1 -> B37, energy = 0.0044461480176
| 37: B1 -> B38, energy = 0.0044461480176
| 38: B1 -> B39, energy = 0.0048764204064
| 39: B1 -> B40, energy = 0.004940164464
| 40: B1 -> B41, energy = 0.005258884752
| 41: B1 -> B42, energy = 0.005019844536
| 42: B1 -> B43, energy = 0.0052429487376
| 43: B1 -> B44, energy = 0.0057210291696
| 44: B1 -> B45, energy = 0.0050676525792
| 45: B1 -> B46, energy = 0.0050676525792
| 46: B1 -> B47, energy = 0.0053704368528
| 47: B1 -> B48, energy = 0.005497924968
| 48: B1 -> B49, energy = 0.0053066927952000005
| 49: B1 -> B50, energy = 0.0053066927952000005
| 50: B1 -> B51, energy = 0.0053704368528
| 51: B1 -> B52, energy = 0.0057529011984
| 52: B1 -> B53, energy = 0.0054501169248
| 53: B1 -> B54, energy = 0.005019844536
| 54: B1 -> B55, energy = 0.0052748207664
| 55: B1 -> B56, energy = 0.005497924968
| 56: B1 -> B57, energy = 0.0052907567808
| 57: B1 -> B58, energy = 0.0056891571407999995
| 58: B1 -> B59, energy = 0.0056094770688
| 59: B1 -> B60, energy = 0.00557760504
| 60: B1 -> B61, energy = 0.005816645256
| 61: B1 -> B62, energy = 0.0060238134431999995
| 62: B1 -> B63, energy = 0.006613445976
| 63: B1 -> B64, energy = 0.006868422206399999
| 64: B1 -> B65, energy = 0.0074899267680000004