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	hartrees
Energy at 0K	-169.649689
Energy at 298.15K	-169.653637
HF Energy	-169.649689
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3876	3701	105.90
2	A'	3276	3128	3.18
3	A'	3141	2999	5.21
4	A'	1747	1668	8.06
5	A'	1455	1389	16.83
6	A'	1363	1301	92.88
7	A'	1189	1135	14.26
8	A'	974	930	130.73
9	A'	539	515	6.52
10	A"	982	938	43.54
11	A"	805	769	8.08
12	A"	441	421	153.37

Atom	x (Å)	y (Å)
C1	1.136	-0.037
N2	0.000	0.530
O3	-1.031	-0.392
H4	1.254	-1.122
H5	2.003	0.615
H6	-1.824	0.156

	C1	N2	O3	H4	H5	H6
C1		1.2704	2.1966	1.0908	1.0845	2.9664
N2	1.2704		1.3838	2.0741	2.0044	1.8617
O3	2.1966	1.3838		2.3987	3.1968	0.9636
H4	1.0908	2.0741	2.3987		1.8916	3.3323
H5	1.0845	2.0044	3.1968	1.8916		3.8538
H6	2.9664	1.8617	0.9636	3.3323	3.8538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.635	N2	C1	H4	122.725
N2	C1	H5	116.459	N2	O3	H6	103.502
H4	C1	H5	120.817

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: HSEh1PBE/6-31+G**

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	-0.249
2	N	-0.133
3	O	-0.326
4	H	0.165
5	H	0.173
6	H	0.369

	x	y	z	Total
	0.207	-0.099	0.000	0.229
CHELPG
AIM
ESP

	x	y	z
x	5.604	-0.156	0.000
y	-0.156	3.457	0.000
z	0.000	0.000	2.471

<r²>	40.594
(<r²>)^1/2	6.371

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)