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	A'	3650		webbook
2	A'	3110
3	A'	2973
4	A'	1639
5	A'	1410
6	A'	1319
7	A'	1166
8	A'	893
9	A'	530
10	A"	953
11	A"	774
12	A"	400

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.085		1	4			1963Lev:2326
rCH	1.086		1	5			1963Lev:2326
rCN	1.276		1	2			1963Lev:2326
rNO	1.408		2	3			1963Lev:2326
rOH	0.956		3	6			1963Lev:2326
aHCN	121.77		2	1	4		1963Lev:2326
aHCN	115.55		2	1	5		1963Lev:2326
aCNO	110.2		1	2	3		1963Lev:2326

Atom	x (Å)	y (Å)
C1	1.1386	-0.0292
N2	0.0000	0.5468
O3	-1.0303	-0.4128
H4	1.2319	-1.1102
H5	1.9988	0.6336
H6	-1.8196	0.1267

	C1	N2	O3	H4	H5	H6
C1		1.2760	2.2026	1.0850	1.0860	2.9623
N2	1.2760		1.4080	2.0648	2.0007	1.8674
O3	2.2026	1.4080		2.3673	3.2048	0.9560
H4	1.0850	2.0648	2.3673		1.9050	3.2926
H5	1.0860	2.0007	3.2048	1.9050		3.8519
H6	2.9623	1.8674	0.9560	3.2926	3.8519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.200	N2	C1	H4	121.770
N2	C1	H5	115.550	N2	O3	H6	102.680
H4	C1	H5	122.680

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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	0.399	0.195	0.000	0.440	1962Lev:276	MW μ₀	C_s	2	3

squib	reference	DOI
1962Lev:276	IN Levine "The microwave spectrum of formaldoxime" J. Mol. Spect. 8, 276-284, 1962	10.1016/0022-2852(62)90028-0
1963Lev:2326	IN Levine "Structure of Formaldoxime" J. Chem. Phys. 33(10) 2326, 1963	10.1063/1.1733504
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
C=N	1
N-O	1
H-C	2
H-O	1

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Experimental data for CH2NOH (formaldoxime)

Experimental data for CH₂NOH (formaldoxime)