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	hartrees
Energy at 0K	-169.749370
Energy at 298.15K	-169.753322
HF Energy	-169.749370
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3904	3718	99.42
2	A'	3274	3118	3.22
3	A'	3137	2988	2.94
4	A'	1770	1686	2.13
5	A'	1463	1393	21.37
6	A'	1380	1314	79.23
7	A'	1205	1148	20.23
8	A'	1010	962	103.38
9	A'	548	521	7.06
10	A"	1004	957	29.98
11	A"	829	789	3.47
12	A"	413	393	128.28

Atom	x (Å)	y (Å)
C1	1.131	-0.038
N2	0.000	0.529
O3	-1.026	-0.390
H4	1.238	-1.121
H5	2.002	0.605
H6	-1.815	0.159

	C1	N2	O3	H4	H5	H6
C1		1.2651	2.1857	1.0886	1.0827	2.9522
N2	1.2651		1.3779	2.0633	2.0036	1.8522
O3	2.1857	1.3779		2.3796	3.1877	0.9608
H4	1.0886	2.0633	2.3796		1.8874	3.3106
H5	1.0827	2.0036	3.1877	1.8874		3.8429
H6	2.9522	1.8522	0.9608	3.3106	3.8429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.503	N2	C1	H4	122.304
N2	C1	H5	116.951	N2	O3	H6	103.290
H4	C1	H5	120.745

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.199
2	N	0.019
3	O	-0.446
4	H	0.141
5	H	0.149
6	H	0.336

	x	y	z	Total
	0.115	-0.086	0.000	0.144
CHELPG
AIM
ESP

	x	y	z
x	5.174	-0.118	0.000
y	-0.118	3.013	0.000
z	0.000	0.000	1.866

<r²>	39.959
(<r²>)^1/2	6.321

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)