Table 1.
Parameter | Value | Parameter | Value | Parameter | Value |
c1,0 | −1.76E-03 | c3,0 | −2.16E-01 | ca | −7.53 |
c1,1 | −1.37E-01 | c3,1 | 2.64E-01 | cd | −4.35 |
c2,0 | −2.89E-03 | c4,0 | 6.72 | ccav | 7.12E-05 |
c2,1 | −1.84E-01 | c4,1 | −8.99 | C | −2.66E-01 |
The parameters have units that enable the product of the basis function and the coefficient to be expressed in kcal/mol.