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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	-130.804466
Energy at 298.15K	-130.806728
HF Energy	-130.437481
Nuclear repulsion energy	35.463518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3485	3485
2	A₁	1723	1723
3	A₁	1559	1559
4	B₁	295	295
5	B₂	3637	3637
6	B₂	1304	1304

Atom	y (Å)	z (Å)
N1	0.000	-0.532
O2	0.000	0.726
H3	0.875	-1.044
H4	-0.875	-1.044

	N1	O2	H3	H4
N1		1.2576	1.0137	1.0137
O2	1.2576		1.9741	1.9741
H3	1.0137	1.9741		1.7498
H4	1.0137	1.9741	1.7498

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: ROMP2/TZVP

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)
1	A'	3486	3486
2	A'	1722	1722
3	A'	1559	1559
4	A'	294	294
5	A"	3638	3638
6	A"	1303	1303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	120.334		O2	N1	H4	120.334
H3	N1	H4	119.333

Number	Element	Mulliken
1	N	-0.279
2	O	-0.173
3	H	0.226
4	H	0.226

<r²>	16.849
(<r²>)^1/2	4.105

Number	Element	Mulliken
1	N	-0.279
2	O	-0.173
3	H	0.226
4	H	0.226

All results from a given calculation for H2NO (nitroxide)

using model chemistry: ROMP2/TZVP

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)