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Compare Calculated Bonds for B-H

17 01 10 14 40

B3LYPultrafine/daug-cc-pVTZ

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


Values greater than 1.38 are in the 1.38 bin. Values less than 1.16 are in the 1.16 bin.

histogram chart 16 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
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histogram chart 2 line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line histogram chart line line line line line line line line line line
histogram chart 0 line histogram chart line line histogram chart line line histogram chart line line line line line histogram chart line line histogram chart line line histogram chart line line line line line histogram chart line line line line line histogram chart line line line line
1.16 1.18 1.20 1.22 1.24 1.26 1.28 1.30 1.32 1.34 1.36 1.38
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.226 0.054

  Species Name Bond Length (Å)
Lowest value HBS hydrogen boron sulfide 1.169
Highest value B2H6+ Diborane cation 1.358

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HBS hydrogen boron sulfide 1.169 1 2
HBBH Diborane(2) 1.171 1 3
    1.171 2 4
B2H4 Diborane(4) D2d 1.195 1 3
    1.195 1 4
    1.195 2 5
    1.195 2 6
BH2NH2 Boranamine 1.191 1 3
    1.191 1 4
B2H6 Diborane 1.312 1 3
    1.312 1 4
    1.185 1 5
    1.185 1 6
    1.312 2 3
    1.312 2 4
    1.185 2 7
    1.185 2 8
B2H6+ Diborane cation 1.251 1 3
    1.284 1 4
    1.284 1 6
    1.246 1 7
    1.358 2 4
    1.175 2 5
    1.358 2 6
    1.231 2 8
BH3NH3 borane ammonia 1.207 1 3
    1.207 1 4
    1.207 1 5
BH3PH3 borane phosphine 1.204 1 3
    1.204 1 4
    1.204 1 5
BH3CO Borane carbonyl 1.205 1 4
    1.205 1 5
    1.205 1 6