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	hartrees
Energy at 0K	-169.437411
Energy at 298.15K	-169.441350
HF Energy	-168.879590
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3859	3654	78.91
2	A'	3306	3131	3.63
3	A'	3162	2995	4.05
4	A'	1692	1603	1.99
5	A'	1483	1405	27.49
6	A'	1381	1308	82.54
7	A'	1208	1144	8.92
8	A'	959	909	99.48
9	A'	541	513	7.43
10	A"	953	903	42.48
11	A"	811	768	7.72
12	A"	433	410	165.18

Atom	x (Å)	y (Å)
C1	1.139	-0.044
N2	0.000	0.540
O3	-1.032	-0.393
H4	1.236	-1.128
H5	2.007	0.602
H6	-1.820	0.155

	C1	N2	O3	H4	H5	H6
C1		1.2797	2.1988	1.0880	1.0819	2.9660
N2	1.2797		1.3910	2.0754	2.0082	1.8606
O3	2.1988	1.3910		2.3840	3.1979	0.9602
H4	1.0880	2.0754	2.3840		1.8932	3.3147
H5	1.0819	2.0082	3.1979	1.8932		3.8536
H6	2.9660	1.8606	0.9602	3.3147	3.8536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.768	N2	C1	H4	122.251
N2	C1	H5	116.255	N2	O3	H6	103.087
H4	C1	H5	121.494

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: MP2=FULL/6-311G*

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: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)