The first fit was made manually, outgoing from well known triple bonds like HCCH or N_{2}.
An iterative program was written based on the penalty function over homonuclear and heteronuclear pairs [Equation (1)].
Putting its derivatives with respect to r_{i} equal to zero, one obtains the iterative algorithm given in Equation (2).
K is the number of data points in each set and N are the iterations.
The standard deviation (given by Equation (3)) was 3.2 pm.
