CCCBDB listing of experimental data page 2

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Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
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

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.083	0.005	2	6			1976Hellwege(II/7)
rGeH	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

	Ge1	C2	H3	H4	H5	H6	H7	H8
Ge1		1.9453	1.5290	1.5290	1.5290	2.5365	2.5365	2.5365
C2	1.9453		2.8498	2.8498	2.8498	1.0830	1.0830	1.0830
H3	1.5290	2.8498		2.4942	2.4942	3.7527	3.1146	3.1146
H4	1.5290	2.8498	2.4942		2.4942	3.1146	3.1146	3.7527
H5	1.5290	2.8498	2.4942	2.4942		3.1146	3.7527	3.1146
H6	2.5365	1.0830	3.7527	3.1146	3.1146		1.7568	1.7568
H7	2.5365	1.0830	3.1146	3.1146	3.7527	1.7568		1.7568
H8	2.5365	1.0830	3.1146	3.7527	3.1146	1.7568	1.7568

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

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Experimental > One molecule all properties

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	C_3v	True				0.643	NSRDS-NBS10	MW	C_3v	1	1

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	10.6028/NBS.NSRDS.10
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
C-Ge	1
H-C	3
H-Ge	3

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Experimental data for GeH3CH3 (methyl germane)

Experimental data for GeH₃CH₃ (methyl germane)