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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	-131.012135
Energy at 298.15K
HF Energy	-131.012135
Nuclear repulsion energy	35.290247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3461	3323	0.38
2	A₁	1692	1625	13.47
3	A₁	1423	1366	7.08
4	B₁	23i	22i	214.40
5	B₂	3595	3451	4.13
6	B₂	1289	1237	3.26

Atom	y (Å)	z (Å)
N1	0.000	-0.536
O2	0.000	0.730
H3	0.877	-1.045
H4	-0.877	-1.045

	N1	O2	H3	H4
N1		1.2662	1.0138	1.0138
O2	1.2662		1.9799	1.9799
H3	1.0138	1.9799		1.7534
H4	1.0138	1.9799	1.7534

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: HSEh1PBE/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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atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	120.144		O2	N1	H4	120.144
H3	N1	H4	119.711

Number	Element	Mulliken
1	N	-0.211
2	O	-0.243
3	H	0.227
4	H	0.227

	x	y	z	Total
	0.000	0.000	-3.136	3.136
CHELPG
AIM
ESP

<r²>	17.002
(<r²>)^1/2	4.123

All results from a given calculation for H2NO (nitroxide)

using model chemistry: HSEh1PBE/TZVP

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)