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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	-130.286304
Energy at 298.15K	-130.288449
HF Energy	-130.286304
Nuclear repulsion energy	33.851761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3432	3290	13.99
2	A₁	1681	1612	24.32
3	A₁	1275	1222	1.88
4	B₁	222	213	329.79
5	B₂	3582	3434	7.19
6	B₂	1215	1165	4.19

Atom	y (Å)	z (Å)
N1	0.000	-0.571
O2	0.000	0.769
H3	0.882	-1.076
H4	-0.882	-1.076

	N1	O2	H3	H4
N1		1.3393	1.0169	1.0169
O2	1.3393		2.0451	2.0451
H3	1.0169	2.0451		1.7646
H4	1.0169	2.0451	1.7646

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: M06-2X/3-21G

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	119.817		O2	N1	H4	119.817
H3	N1	H4	120.365

Number	Element	Mulliken
1	N	-0.377
2	O	-0.285
3	H	0.331
4	H	0.331

	x	y	z	Total
	0.000	0.000	-3.069	3.069
CHELPG
AIM
ESP

<r²>	17.546
(<r²>)^1/2	4.189

All results from a given calculation for H2NO (nitroxide)

using model chemistry: M06-2X/3-21G

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)