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	hartrees
Energy at 0K	-169.670450
Energy at 298.15K	-169.674342
HF Energy	-169.670450
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3748	3748	69.71
2	A'	3313	3313	2.54
3	A'	3183	3183	0.07
4	A'	1748	1748	0.56
5	A'	1483	1483	10.06
6	A'	1347	1347	93.11
7	A'	1202	1202	7.12
8	A'	882	882	101.25
9	A'	523	523	8.94
10	A"	1055	1055	54.52
11	A"	815	815	1.47
12	A"	400	400	216.28

Atom	x (Å)	y (Å)
C1	1.148	-0.004
N2	0.000	0.555
O3	-1.038	-0.438
H4	1.271	-1.083
H5	2.010	0.649
H6	-1.868	0.072

	C1	N2	O3	H4	H5	H6
C1		1.2771	2.2289	1.0859	1.0811	3.0170
N2	1.2771		1.4365	2.0731	2.0126	1.9291
O3	2.2289	1.4365		2.3971	3.2362	0.9742
H4	1.0859	2.0731	2.3971		1.8827	3.3444
H5	1.0811	2.0126	3.2362	1.8827		3.9207
H6	3.0170	1.9291	0.9742	3.3444	3.9207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.310	N2	C1	H4	122.430
N2	C1	H5	116.935	N2	O3	H6	104.668
H4	C1	H5	120.634

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: M06-2X/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	-0.142
2	N	-0.098
3	O	-0.542
4	H	0.184
5	H	0.188
6	H	0.410

	x	y	z	Total
	0.388	0.052	0.000	0.391
CHELPG
AIM
ESP

	x	y	z
x	5.184	-0.083	0.000
y	-0.083	2.721	0.000
z	0.000	0.000	1.154

<r²>	41.321
(<r²>)^1/2	6.428

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)