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IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31B2PLYP=FULL/6-31G(2df,p) for rOCa
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.220 are in the 0.220 bin. Differences less than -0.020 are in the -0.020 bin.
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10 | ![]() |
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8 | ![]() |
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6 | ![]() |
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4 | ![]() |
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2 | ![]() |
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0 | ![]() |
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-0.020 | 0.000 | 0.020 | 0.040 | 0.060 | 0.080 | 0.100 | 0.120 | 0.140 | 0.160 | 0.180 | 0.200 | 0.220 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CaO | Calcium monoxide | 0.181 |
Most positive difference | CaO | Calcium monoxide | 0.181 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CaO | Calcium monoxide | 1.822 | 0.181 |