Rep:MOD:NAS13

EX₃

BH₃

B3LYP/3-21G level

BH₃ Optimisation log file here

summary data	convergence	Jmol
	Item Value Threshold Converged? Maximum Force 0.000217 0.000450 YES RMS Force 0.000105 0.000300 YES Maximum Displacement 0.000751 0.001800 YES RMS Displacement 0.000439 0.001200 YES