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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	-130.487881
Energy at 298.15K	-130.489851
HF Energy	-130.487881
Nuclear repulsion energy	35.292609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3286	3254	3.68
2	A₁	1598	1583	5.87
3	A₁	1426	1412	22.21
4	B₁	106	104	161.26
5	B₂	3391	3358	0.28
6	B₂	1227	1215	2.59

Atom	y (Å)	z (Å)
N1	0.000	-0.531
O2	0.000	0.728
H3	0.884	-1.055
H4	-0.884	-1.055

	N1	O2	H3	H4
N1		1.2594	1.0277	1.0277
O2	1.2594		1.9902	1.9902
H3	1.0277	1.9902		1.7687
H4	1.0277	1.9902	1.7687

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: SVWN/cc-pVTZ

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'	3287	3255	3.68
2	A'	1598	1583	5.83
3	A'	1427	1413	22.24
4	A'	104	103	161.23
5	A"	3392	3359	0.27
6	A"	1226	1214	2.59

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	120.625		O2	N1	H4	120.625
H3	N1	H4	118.750

Number	Element	Mulliken
1	N	-0.017
2	O	-0.291
3	H	0.154
4	H	0.154

	x	y	z	Total
	0.000	0.000	-3.077	3.077
CHELPG
AIM
ESP

<r²>	17.002
(<r²>)^1/2	4.123

All results from a given calculation for H2NO (nitroxide)

using model chemistry: SVWN/cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)