National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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II.A.1. (XV.A.)

Listing of experimental data for SiP (Silicon monophosphide)

State Conformation
2Π C*V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
1 Σ 616 2002Jak/Nak:6513       omega e
Detailed diatomic data
ωe ωexe ωeye Be αe ZPE reference
615.7 2.34 2002Jak/Nak:6513

vibrational zero-point energy: 307.9 cm-1
Calculated vibrational frequencies for SiP (Silicon monophosphide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
  0.26440   2002Jak/Nak:6513 B0

Calculated rotational constants for SiP (Silicon monophosphide).

Product of moments of inertia moments of inertia
63.75806amu Å2   1.058744E-38gm cm2
Geometric Data
picture of Silicon monophosphide

Point Group

Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees

Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rSiP 2.078 0.002 1 2 2002Jak/Nak:6513 re


Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.0000
P2 0.0000 0.0000 2.0775

Atom - Atom Distances bond lengths
Distances in Å

  Si1 P2
Si1   2.0775
P2 2.0775  

Calculated geometries for SiP (Silicon monophosphide).

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Si=P 1


Atom 1 Atom 2
Si1 P2
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2   2Π
427.4 2 2002Jak/Nak:6513
21317.1 2 2002Jak/Nak:6513

Ionization Energies (eV)

Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
9.100 0.500     webbook
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for SiP (Silicon monophosphide).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for SiP (Silicon monophosphide).

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squib reference DOI
2002Jak/Nak:6513 ZJ Jakubek, SG Nakhate, B Simard "The SiP molecule: The first observation and spectroscopic characterization" J. Chem. Phys. 116(15), 6513, 2002 10.1063/1.1462582
webbook NIST Chemistry Webbook (  

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