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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	-130.378452
Energy at 298.15K	-130.380705
HF Energy	-130.378452
Nuclear repulsion energy	34.614701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3819	3438	33.32
2	A₁	1824	1642	41.69
3	A₁	1354	1219	27.81
4	B₁	294	265	476.36
5	B₂	4006	3607	28.58
6	B₂	1354	1219	3.08

Atom	y (Å)	z (Å)
N1	0.000	-0.561
O2	0.000	0.751
H3	0.870	-1.039
H4	-0.870	-1.039

	N1	O2	H3	H4
N1		1.3115	0.9930	0.9930
O2	1.3115		1.9903	1.9903
H3	0.9930	1.9903		1.7402
H4	0.9930	1.9903	1.7402

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: HF/SDD

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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Atom	x (Å)	y (Å)	z (Å)
N1	-0.000	0.561	0.000
O2	-0.000	-0.751	0.000
H3	0.000	1.039	0.870
H4	0.000	1.039	-0.870

	N1	O2	H3	H4
N1		1.3114	0.9930	0.9930
O2	1.3114		1.9903	1.9903
H3	0.9930	1.9903		1.7401
H4	0.9930	1.9903	1.7401

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	118.812		O2	N1	H4	118.812
H3	N1	H4	122.376

Number	Element	Mulliken
1	N	-0.506
2	O	-0.198
3	H	0.352
4	H	0.352

	x	y	z	Total
	0.000	0.000	-2.909	2.909
CHELPG
AIM
ESP

<r²>	17.416
(<r²>)^1/2	4.173

All results from a given calculation for H2NO (nitroxide)

using model chemistry: HF/SDD

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)