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Density functional: PWPB95

Reference values and deviations (result - reference) of the respective functional
w/o dispersion correction, D3(0) dispersion correction, and D3(BJ) dispersion correction in kcal/mol.

# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 ISO_E36 ISO_P36 1 -1 -1.0 0.90 1.02 0.91
2 c20cage c20bowl -1 1 -7.7 4.58 6.37 6.31
3 heptatriyne heptahexaene 1 -1 -15.2 3.26 3.26 3.31
4 tmethen omcb -2 1 -18.8 6.91 1.50 2.89
5 ISO_E35 ISO_P35 1 -1 -22.9 -2.87 -2.96 -3.41
6 carbooxo2 carbooxo1 -1 1 -25.7 10.74 10.38 10.47
7 ethen ch2n2 13dip -1 -1 1 -38.9 4.36 3.62 3.60
8 be4 be 1 -4 -92.0 -7.98 -8.01 -9.40
9 s2 s8 -4 1 -106.0 7.75 5.21 0.58
10 ISO_C8H8_1 ISO_C8H8_41 -1 1 109.92 -4.06 -4.25 -3.91
11 o3 c2h2 o3_c2h2_add -1 -1 1 -65.3 -0.36 -0.67 -0.78
12 o3 c2h4 o3_c2h4_add -1 -1 1 -58.7 0.85 0.23 0.42
13 C6Cl6 HCL C6H6 CL2 -1 -6 1 6 152.6 -11.54 -9.17 -7.78
MD 0.96 0.50 0.25
MAD 5.09 4.36 4.14
RMSD 6.18 5.39 5.26