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 GeH3CH3 (methyl germane)

State Conformation
1A1 C3V
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 A1 2938 webbook      
2 A1 2085 webbook      
3 A1 1254 webbook      
4 A1 843 webbook      
5 A1 602 webbook      
6 A2 157 webbook      
7 E 2997 webbook      
8 E 2084 webbook      
9 E 1428 webbook      
10 E 900 webbook      
11 E 848 webbook      
12 E 506 webbook      

vibrational zero-point energy: 12702.5 cm-1
Calculated vibrational frequencies for GeH3CH3 (methyl germane).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for GeH3CH3 (methyl germane).

Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of methyl germane

Point Group C3v

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
rHC 1.083 0.005 2 6 1976Hellwege(II/7)
rHGe 1.529 0.005 1 3 1976Hellwege(II/7)
rCGe 1.945 0.005 1 2 1976Hellwege(II/7)
aHCH 108.4 0.5 6 2 7 1976Hellwege(II/7)
aHGeH 109.3 0.5 3 1 4 1976Hellwege(II/7)
aHGeC 110.5223 0.5 1 2 6 by symmetry
aHCGe 109.6419 0.5 2 1 3 by symmetry


Atom x (Å) y (Å) z (Å)
Ge1 0.0000 0.0000 0.3887
C2 0.0000 0.0000 -1.5566
H3 0.0000 1.4400 0.9027
H4 -1.2471 -0.7200 0.9027
H5 1.2471 -0.7200 0.9027
H6 0.0000 -1.0143 -1.9362
H7 -0.8784 0.5071 -1.9362
H8 0.8784 0.5071 -1.9362

Atom - Atom Distances bond lengths
Distances in Å

  Ge1 C2 H3 H4 H5 H6 H7 H8
Ge1   1.94531.52901.52901.52902.53652.53652.5365
C2 1.9453   2.84982.84982.84981.08301.08301.0830
H3 1.52902.8498   2.49422.49423.75273.11463.1146
H4 1.52902.84982.4942   2.49423.11463.11463.7527
H5 1.52902.84982.49422.4942   3.11463.75273.1146
H6 2.53651.08303.75273.11463.1146   1.75681.7568
H7 2.53651.08303.11463.11463.75271.7568   1.7568
H8 2.53651.08303.11463.75273.11461.75681.7568  

Calculated geometries for GeH3CH3 (methyl germane).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Ge1 C2 H6 110.520 Ge1 C2 H7 110.520
Ge1 C2 H8 110.520 C2 Ge1 H3 109.640
C2 Ge1 H4 109.640 C2 Ge1 H5 109.640
H3 Ge1 H4 109.302 H3 Ge1 H5 109.302
H4 Ge1 H5 109.302 H6 C2 H7 108.402
H6 C2 H8 108.402 H7 C2 H8 108.402

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-Ge 1
H-C 3
H-Ge 3


Atom 1 Atom 2
Ge1 C2
Ge1 H3
Ge1 H4
Ge1 H5
C2 H6
C2 H7
C2 H8
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description

Ionization Energies (eV)

Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
11.000       webbook
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Dipole (Debye) Reference comment
0.643 NSRDS-NBS10  

Calculated electric dipole moments for GeH3CH3 (methyl germane).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for GeH3CH3 (methyl germane).

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squib reference DOI
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.  
NSRDS-NBS10 R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967  
webbook NIST Chemistry Webbook (  

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