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
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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.3. (XII.A.1.)

Listing of experimental geometry data for GeH3CH3 (methyl germane)

No experimental rotational constants available.
Calculated rotational constants for GeH3CH3 (methyl germane).

Point Group C3v

Internal coordinates

(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rHC 1.083 2 6 1976Hellwege(II/7)
rHGe 1.529 1 3 1976Hellwege(II/7)
rCGe 1.945 1 2 1976Hellwege(II/7)
aHCH 108.4 6 2 7 1976Hellwege(II/7)
aHGeH 109.3 3 1 4 1976Hellwege(II/7)
aHGeC 110.5223 1 2 6 by symmetry
aHCGe 109.6419 2 1 3 by symmetry
picture of methyl germane

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 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 (Å)

  Ge1 C2 H3 H4 H5 H6 H7 H8

Calculated geometries 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.  

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