Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology Home All data for one species Geometry Experimental Calculated Comparisons Bad Calculations Tutorials and Explanations Vibrations Experimental Calculated Scale factors Reactions Entropies Ions List Ions Energy Electron Affinity Proton Affinity Ionization changes point group Experimental One molecule all properties One property a few molecules Geometry Vibrations Energy Electrostatics Reference Data Calculated Energy Optimized Reaction Internal Rotation Orbital Nuclear repulsion energy Correlation Ion Excited State Basis Set Extrapolation Geometry Vibrations Frequencies Zero point energy (ZPE) Scale Factors Bad Calculations Electrostatics Charges Dipole Quadrupole Polarizability Spin Entropy and Heat Capacity Reaction Lookup by property Comparisons Geometry Vibrations Energy Entropy Electrostatics Ion Resources Info on Results Calculations Done Basis functions used I/O files Glossary Conversion Forms Links NIST Links External links Thermochemistry Tutorials Vibrations Entropy Energy Electrostatics Geometry Cost Bad Calculations FAQ Help Units Choose Units Explanations Credits Just show me Summary Using List Recent molecules Molecules Geometry Vibrations Energy Similar molecules Ions, Dipoles, etc. Index of CCCBDB Feedback You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules

# Compare Bonds

18 10 26 16 45

## QCISD(TQ)=FULL/aug-cc-pVTZ for rAlP

### Histogram of Bond length differences (in Å) vs number of species

#### Differences greater than 0.060 are in the 0.060 bin. Differences less than -0.180 are in the -0.180 bin.

10
8
6
4
2
0
-0.180 -0.160 -0.140 -0.120 -0.100 -0.080 -0.060 -0.040 -0.020 0.000 0.020 0.040 0.060
bond length difference calc. - exp. (Å)

Species Name Difference (Å)
Most negative difference AlP Aluminum monophosphide-0.175
Most positive difference AlP Aluminum monophosphide-0.175

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
AlP Aluminum monophosphide 2.400 -0.175