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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	-130.470118
Energy at 298.15K	-130.472234
HF Energy	-130.470118
Nuclear repulsion energy	35.234739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3286	3246	2.93
2	A₁	1628	1608	7.01
3	A₁	1429	1412	20.28
4	B₁	195	193	188.43
5	B₂	3383	3342	0.07
6	B₂	1245	1230	3.75

Atom	y (Å)	z (Å)
N1	0.000	-0.532
O2	0.000	0.730
H3	0.885	-1.058
H4	-0.885	-1.058

	N1	O2	H3	H4
N1		1.2614	1.0293	1.0293
O2	1.2614		1.9944	1.9944
H3	1.0293	1.9944		1.7693
H4	1.0293	1.9944	1.7693

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: LSDA/6-311G**

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'	3288	3247	2.91
2	A'	1628	1608	7.00
3	A'	1429	1411	20.25
4	A'	194	191	188.45
5	A"	3385	3343	0.07
6	A"	1245	1229	3.76

Atom	x (Å)	y (Å)	z (Å)
N1	-0.000	0.532	0.000
O2	-0.000	-0.730	0.000
H3	0.001	1.058	0.884
H4	0.001	1.058	-0.884

	N1	O2	H3	H4
N1		1.2615	1.0291	1.0291
O2	1.2615		1.9946	1.9946
H3	1.0291	1.9946		1.7687
H4	1.0291	1.9946	1.7687

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	120.738		O2	N1	H4	120.738
H3	N1	H4	118.525

Number	Element	Mulliken
1	N	-0.177
2	O	-0.287
3	H	0.232
4	H	0.232

	x	y	z	Total
	0.000	0.000	-3.105	3.105
CHELPG
AIM
ESP

<r²>	16.969
(<r²>)^1/2	4.119

All results from a given calculation for H2NO (nitroxide)

using model chemistry: LSDA/6-311G**

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)