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	hartrees
Energy at 0K	-169.471307
Energy at 298.15K	-169.475269
HF Energy	-168.861984
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3951	3951	87.10
2	A'	3333	3333	2.60
3	A'	3204	3204	1.84
4	A'	1762	1762	1.28
5	A'	1495	1495	24.87
6	A'	1405	1405	74.92
7	A'	1227	1227	13.34
8	A'	1001	1001	89.81
9	A'	546	546	7.04
10	A"	1001	1001	30.95
11	A"	824	824	3.91
12	A"	424	424	129.16

Atom	x (Å)	y (Å)
C1	1.131	-0.039
N2	0.000	0.534
O3	-1.027	-0.393
H4	1.236	-1.117
H5	2.000	0.599
H6	-1.809	0.157

	C1	N2	O3	H4	H5	H6
C1		1.2678	2.1865	1.0836	1.0784	2.9462
N2	1.2678		1.3831	2.0629	2.0014	1.8476
O3	2.1865	1.3831		2.3762	3.1854	0.9556
H4	1.0836	2.0629	2.3762		1.8788	3.3008
H5	1.0784	2.0014	3.1854	1.8788		3.8347
H6	2.9462	1.8476	0.9556	3.3008	3.8347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.070	N2	C1	H4	122.442
N2	C1	H5	116.864	N2	O3	H6	102.846
H4	C1	H5	120.694

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: MP3=FULL/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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All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: MP3=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)