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Compare Calculated Bonds for B-H

17 01 10 14 40

B2PLYP=FULLultrafine/6-31G**

Histogram of Bond lengths (in Å) vs number of species


Values greater than 1.40 are in the 1.40 bin. Values less than 1.16 are in the 1.16 bin.

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1.16 1.18 1.20 1.22 1.24 1.26 1.28 1.30 1.32 1.34 1.36 1.38 1.40
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.240 0.066

  Species Name Bond Length (Å)
Lowest value HBNH Boranimine 1.166
Highest value B2H6+ Diborane cation 1.363

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
BH Boron monohydride 1.236 1 2
BH4- borohydride anion 1.235 1 2
    1.235 1 3
    1.235 1 4
    1.235 1 5
BH4 borohydride 1.278 1 2
    1.278 1 3
    1.181 1 4
    1.181 1 5
HBO Boron hydride oxide 1.166 1 2
HBS hydrogen boron sulfide 1.169 1 2
HBBH Diborane(2) 1.172 1 3
    1.172 2 4
HBNH Boranimine 1.166 1 3
CH2BH methyleneborane 1.171 2 5
HBHHBH Diborane(4) C2V 1.344 1 3
    1.344 1 4
    1.171 1 5
    1.344 2 3
    1.344 2 4
    1.171 2 6
B2H4 Diborane(4) D2d 1.195 1 3
    1.195 1 4
    1.195 2 5
    1.195 2 6
BH2NH2 Boranamine 1.192 1 3
    1.192 1 4
CH3BH2 methylborane 1.193 2 6
    1.193 2 7
B2H6 Diborane 1.311 1 3
    1.311 1 4
    1.185 1 5
    1.185 1 6
    1.311 2 3
    1.311 2 4
    1.185 2 7
    1.185 2 8
B2H6+ Diborane cation 1.246 1 3
    1.278 1 4
    1.278 1 6
    1.254 1 7
    1.363 2 4
    1.173 2 5
    1.363 2 6
    1.225 2 8
BH3NH3 borane ammonia 1.206 1 3
    1.206 1 4
    1.206 1 5
BH3PH3 borane phosphine 1.203 1 3
    1.203 1 4
    1.203 1 5
BH3CO Borane carbonyl 1.204 1 4
    1.204 1 5
    1.204 1 6
B5H9 pentaborane9 1.180 3 7
    1.341 3 11
    1.341 3 14
    1.180 4 8
    1.341 4 11
    1.341 4 12
    1.180 5 9
    1.341 5 12
    1.341 5 13
    1.180 6 10
    1.341 6 13
    1.341 6 14