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4143122275
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MOLPRO is a suite of ab initio programs written by H.-J. Werner and P. J. Knowles with contributions by J. Almlöff, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. A. Peterson, R. M. Pitzer, E. A. Reinsch, A. J. Stone, and P. R. Taylor
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MOLPRO is a suite of ab initio programs written by H.-J. Werner and P. J. Knowles with contributions by J. Almlöff, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. A. Peterson, R. M. Pitzer, E. A. Reinsch, A. J. Stone, and P. R. Taylor.
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(a) A. Willetts, J. F. Gao, W. H. Green, Jr., and N. C. Handy, SPECTRO 3.0 (Cambridge, 1994);
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SPECTRO 3.0
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0003820634
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edited by J. M. Bowman (JAI, Greenwich, CT)
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(b) J. F. Gaw, A. Willetts, W. H. Green, and N. C. Handy, in Advances in Molecular Vibrations and Collision Dynamics, edited by J. M. Bowman (JAI, Greenwich, CT, 1990);
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Advances in Molecular Vibrations and Collision Dynamics
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37
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4143065885
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note
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(c) The SPECTRO 3.0 version has not treated the out-of-plane bending internal coordinate correctly. Thus the old version of Itensr.f (v. 1.2) was used for the L-tensor algebra routine in our current version.
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