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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	-131.040107
Energy at 298.15K	-131.042533
HF Energy	-131.040107
Nuclear repulsion energy	34.283170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3563	3563	5.40
2	A₁	1711	1711	24.51
3	A₁	1343	1343	0.00
4	B₁	474	474	361.78
5	B₂	3728	3728	2.47
6	B₂	1258	1258	6.62

Atom	y (Å)	z (Å)
N1	0.000	-0.562
O2	0.000	0.757
H3	0.881	-1.062
H4	-0.881	-1.062

	N1	O2	H3	H4
N1		1.3183	1.0130	1.0130
O2	1.3183		2.0206	2.0206
H3	1.0130	2.0206		1.7617
H4	1.0130	2.0206	1.7617

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: wB97X-D/LANL2DZ

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	119.595		O2	N1	H4	119.595
H3	N1	H4	120.810

Number	Element	Mulliken
1	N	-0.418
2	O	-0.238
3	H	0.328
4	H	0.328

	x	y	z	Total
	0.000	0.000	-3.331	3.331
CHELPG
AIM
ESP

<r²>	17.523
(<r²>)^1/2	4.186

All results from a given calculation for H2NO (nitroxide)

using model chemistry: wB97X-D/LANL2DZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)