CCCBDB listing of experimental data page 2

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Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSiF	1.597	0.009	2	3			1982Shi/Oya:375-390	rs
rCSi	1.847	0.005	1	2			1982Shi/Oya:375-390
rSiH	1.478	0.002	2	7			1982Shi/Oya:375-390
rCH	1.105	0.005	1	4			1982Shi/Oya:375-390
rCH	1.089	0.001	1	5			1982Shi/Oya:375-390
aCSiF	109.15	0.65	1	2	3		1982Shi/Oya:375-390
aCSiH	112.28	0.27	1	2	7		1982Shi/Oya:375-390
aFSiH	106.43	0.47	3	2	7		1982Shi/Oya:375-390
aHSiH	109.88	0.08	7	2	8		1982Shi/Oya:375-390
aSiCH	108.72	0.65	2	1	4		1982Shi/Oya:375-390
aSiCH	111.33	0.43	2	1	5		1982Shi/Oya:375-390
aHCH	108.38	0.47	4	1	5		1982Shi/Oya:375-390
aHCH	108.57	0.07	5	1	6		1982Shi/Oya:375-390

Atom	x (Å)	y (Å)	z (Å)
C1	-1.3230	-0.7858	0.0000
Si2	0.0000	0.5030	0.0000
F3	1.4280	-0.2120	0.0000
H4	-2.3073	-0.2837	0.0000
H5	-1.2601	-1.4181	0.8844
H6	-1.2601	-1.4181	-0.8844
H7	-0.0432	1.3504	1.2102
H8	-0.0432	1.3504	-1.2102

	C1	Si2	F3	H4	H5	H6	H7	H8
C1		1.8470	2.8102	1.1050	1.0890	1.0890	2.7687	2.7687
Si2	1.8470		1.5970	2.4377	2.4618	2.4618	1.4780	1.4780
F3	2.8102	1.5970		3.7360	3.0761	3.0761	2.4638	2.4638
H4	1.1050	2.4377	3.7360		1.7793	1.7793	3.0432	3.0432
H5	1.0890	2.4618	3.0761	1.7793		1.7689	3.0416	3.6787
H6	1.0890	2.4618	3.0761	1.7793	1.7689		3.6787	3.0416
H7	2.7687	1.4780	2.4638	3.0432	3.0416	3.6787		2.4204
H8	2.7687	1.4780	2.4638	3.0432	3.6787	3.0416	2.4204

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Si2	F3	109.150	C1	Si2	H7	112.280
C1	Si2	H8	112.280	Si2	C1	H4	108.720
Si2	C1	H5	111.330	Si2	C1	H6	111.330
F3	Si2	H7	106.430	F3	Si2	H8	106.430
H4	C1	H5	108.380	H4	C1	H6	108.380
H5	C1	H6	108.613	H7	Si2	H8	109.930

Bond Type	Count
C-Si	1
F-Si	1
C-H	3
Si-H	2

	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	¹A^'	C_s	True	1.652	0.399		1.700	1982Shi/Oya:375-390	x=a, y=b	C_s	2	3

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Experimental data for CH3SiFH2 (fluoromethylsilane)

Experimental data for CH₃SiFH₂ (fluoromethylsilane)