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Harmonic frequencies will be computed by finite differences.

Number of displacements per atom is:   2
Step size for finite differences is:   0.010000 Bohrs

finite difference step for:    atom     1    coordinate   1    step  1

~~~~~~~~~~~~~~~~~~~~ Start Computing SCF Energy/Gradient ~~~~~~~~~~~~~~~~~~~~

Integration points and checksum:     207771     806.999202  110
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[ Last edited by freshgirl on 2009-6-26 at 17:13 ]
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