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	hartrees
Energy at 0K	-169.690525
Energy at 298.15K	-169.694447
HF Energy	-169.690525
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3755	3755	61.34
2	A'	3307	3307	4.51
3	A'	3180	3180	1.14
4	A'	1733	1733	1.35
5	A'	1486	1486	12.31
6	A'	1357	1357	95.65
7	A'	1202	1202	5.92
8	A'	869	869	111.56
9	A'	523	523	8.38
10	A"	1032	1032	58.50
11	A"	806	806	2.13
12	A"	442	442	208.15

Atom	x (Å)	y (Å)
C1	1.151	-0.007
N2	0.000	0.553
O3	-1.042	-0.435
H4	1.282	-1.085
H5	2.010	0.651
H6	-1.864	0.084

	C1	N2	O3	H4	H5	H6
C1		1.2797	2.2339	1.0865	1.0818	3.0159
N2	1.2797		1.4360	2.0801	2.0122	1.9220
O3	2.2339	1.4360		2.4124	3.2390	0.9722
H4	1.0865	2.0801	2.4124		1.8827	3.3555
H5	1.0818	2.0122	3.2390	1.8827		3.9149
H6	3.0159	1.9220	0.9722	3.3555	3.9149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.557	N2	C1	H4	122.855
N2	C1	H5	116.628	N2	O3	H6	104.238
H4	C1	H5	120.517

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: wB97X-D/6-31G

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	-0.160
2	N	-0.101
3	O	-0.528
4	H	0.189
5	H	0.195
6	H	0.405

	x	y	z	Total
	0.384	0.030	0.000	0.385
CHELPG
AIM
ESP

	x	y	z
x	5.254	-0.090	0.000
y	-0.090	2.739	0.000
z	0.000	0.000	1.169

<r²>	41.324
(<r²>)^1/2	6.428

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: wB97X-D/6-31G

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)