Rep:Mod:n2yqc01506162

N2 molecule

Calculation method	Basis set	Final energy E(RB3LYP) in au	RMS gradient norm in au	Point group
RB3LYP	6-31G(d,p)	-109.52412868	0.00000060	D∞h

Optimised N-N bond length= 1.09200 Å

Item               Value     Threshold  Converged?
 Maximum Force            0.000001     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.000000     0.001800     YES
 RMS     Displacement     0.000000     0.001200     YES

test molecule