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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	²B₁
1	2	no	CS	²A^'

	hartrees
Energy at 0K	-130.222989
Energy at 298.15K	-130.225089
HF Energy	-130.222989
Nuclear repulsion energy	33.926362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3430	3304	5.32
2	A₁	1689	1627	17.61
3	A₁	1242	1197	0.64
4	B₁	193	186	323.35
5	B₂	3570	3439	0.71
6	B₂	1214	1170	5.34

Atom	y (Å)	z (Å)
N1	0.000	-0.568
O2	0.000	0.767
H3	0.880	-1.078
H4	-0.880	-1.078

	N1	O2	H3	H4
N1		1.3353	1.0164	1.0164
O2	1.3353		2.0434	2.0434
H3	1.0164	2.0434		1.7595
H4	1.0164	2.0434	1.7595

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: HSEh1PBE/3-21G

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

	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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3431	3305	5.32
2	A'	1689	1627	17.62
3	A'	1242	1197	0.64
4	A'	192	185	323.41
5	A"	3571	3440	0.71
6	A"	1214	1170	5.34

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	120.057		O2	N1	H4	120.057
H3	N1	H4	119.885

Number	Element	Mulliken
1	N	-0.383
2	O	-0.280
3	H	0.332
4	H	0.332

	x	y	z	Total
	0.000	0.000	-2.993	2.993
CHELPG
AIM
ESP

<r²>	17.471
(<r²>)^1/2	4.180

All results from a given calculation for H2NO (nitroxide)

using model chemistry: HSEh1PBE/3-21G

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)