Rep:Mod:h20133428

H2 Molecule

Calculation method: RB3LYP

Basis set: 6-31G(d,p)

Final energy E(RB3LYP) in atomic units (a.u): -1.17853930

RMS Gradient: 0.00012170

Point group: dinfh

Bond length: 0.74309

Item               Value     Threshold  Converged?
 Maximum Force            0.000211     0.000450     YES
 RMS     Force            0.000211     0.000300     YES
 Maximum Displacement     0.000278     0.001800     YES
 RMS     Displacement     0.000392     0.001200     YES
 Predicted change in Energy=-5.540678D-08