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Compare Calculated Bonds for B-H

17 01 10 14 40

B97D3/6-31+G**

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


Values greater than 1.36 are in the 1.36 bin. Values less than 1.12 are in the 1.12 bin.

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1.12 1.14 1.16 1.18 1.20 1.22 1.24 1.26 1.28 1.30 1.32 1.34 1.36
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.242 0.065

  Species Name Bond Length (Å)
Lowest value B3N3H6 borazine 1.121
Highest value HBHHBH Diborane(4) C2V 1.360

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
BH- boron monohydride anion 1.280 1 2
BH Boron monohydride 1.249 1 2
BH+ boron monohydride cation 1.226 1 2
BH2- boron dihydride anion 1.216 1 2
    1.216 1 3
BH2 boron dihydride 1.201 1 2
    1.201 1 3
BH2+ Boron dihydride cation 1.184 1 2
    1.184 1 3
BH3- boron trihydride anion 1.223 1 2
    1.223 1 3
    1.223 1 4
BH3 boron trihydride 1.201 1 2
    1.201 1 3
    1.201 1 4
BH4- borohydride anion 1.253 1 2
    1.253 1 3
    1.253 1 4
    1.253 1 5
HBO Boron hydride oxide 1.177 1 2
HBS hydrogen boron sulfide 1.180 1 2
HBBH Diborane(2) 1.184 1 3
    1.184 2 4
HBNH Boranimine 1.176 1 3
HBHHBH Diborane(4) C2V 1.360 1 3
    1.360 2 3
    1.360 2 4
    1.360 1 4
    1.182 1 5
    1.182 2 6
LiBH4 Lithium borohydride 1.205 2 3
    1.257 2 4
    1.257 2 5
    1.257 2 6
B2H4 Diborane(4) D2d 1.209 1 3
    1.209 1 4
    1.209 2 5
    1.209 2 6
BH2NH2 Boranamine 1.204 1 3
    1.204 1 4
B2H6 Diborane 1.326 1 3
    1.326 2 3
    1.326 2 4
    1.326 1 4
    1.197 1 5
    1.197 1 6
    1.197 2 7
    1.197 2 8
B2H6+ Diborane cation 1.252 1 3
    1.313 1 4
    1.336 2 4
    1.207 2 5
    1.336 2 6
    1.313 1 6
    1.228 1 7
    1.248 2 8
BH3NH3 borane ammonia 1.220 1 3
    1.220 1 4
    1.220 1 5
BH3PH3 borane phosphine 1.217 1 3
    1.217 1 4
    1.217 1 5
BHF2 Difluoroborane 1.197 1 2
BHCl2 Borane, dichloro- 1.192 1 2
BH3CO Borane carbonyl 1.218 1 4
    1.218 1 5
    1.218 1 6
B5H9 pentaborane9 1.191 3 7
    1.191 4 8
    1.191 5 9
    1.191 6 10
    1.355 4 11
    1.355 3 11
    1.355 4 12
    1.355 5 12
    1.355 5 13
    1.355 6 13
    1.355 6 14
    1.355 3 14
B3N3H6 borazine 1.121 4 10
    1.121 5 11
    1.121 6 12