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Wiberg bond index matrix in the NAO basis:                                    
   1. Si  0.0000  0.1499  0.1181  0.0865  0.7657  0.1671  0.1156  0.6096  0.0698
   2. Si  0.1499  0.0000  0.4733  0.4727  0.6447  0.1503  0.1504  0.1502  0.6456
   3. Si  0.1181  0.4733  0.0000  0.7183  0.0976  0.0861  0.9144  0.0983  0.6143
   4. Si  0.0865  0.4727  0.7183  0.0000  0.6155  0.1179  0.0993  0.9148  0.0976
   5. Si  0.7657  0.6447  0.0976  0.6155  0.0000  0.0699  0.1015  0.4912  0.0677
   6. Si  0.1671  0.1503  0.0861  0.1179  0.0699  0.0000  0.6100  0.1158  0.7666
   7. Si  0.1156  0.1504  0.9144  0.0993  0.1015  0.6100  0.0000  0.2551  0.4902
   8. Si  0.6096  0.1502  0.0983  0.9148  0.4912  0.1158  0.2551  0.0000  0.1019
   9. Si  0.0698  0.6456  0.6143  0.0976  0.0677  0.7666  0.4902  0.1019  0.0000
10. Rh  0.6085  0.0744  0.0971  0.0972  0.0908  0.6080  0.6311  0.6314  0.0908
11. Rh  0.6653  0.6938  0.1137  0.1137  0.1996  0.6647  0.0979  0.0977  0.2005

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cug_zhang

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cug_zhang

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2Â¥: Originally posted by youyno at 2014-04-20 22:02:04
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youyno

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3Â¥: Originally posted by cug_zhang at 2014-04-20 22:08:55
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