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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	-130.337658
Energy at 298.15K	-130.339850
HF Energy	-130.337658
Nuclear repulsion energy	34.794244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3829	3428	29.56
2	A₁	1836	1644	39.28
3	A₁	1319	1181	30.32
4	B₁	246	220	489.00
5	B₂	4009	3590	30.28
6	B₂	1370	1227	2.11

Atom	y (Å)	z (Å)
N1	0.000	-0.558
O2	0.000	0.746
H3	0.867	-1.034
H4	-0.867	-1.034

	N1	O2	H3	H4
N1		1.3040	0.9893	0.9893
O2	1.3040		1.9804	1.9804
H3	0.9893	1.9804		1.7340
H4	0.9893	1.9804	1.7340

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: ROHF/6-31G

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	118.794		O2	N1	H4	118.794
H3	N1	H4	122.411

Number	Element	Mulliken
1	N	-0.477
2	O	-0.268
3	H	0.372
4	H	0.372

	x	y	z	Total
	0.000	0.000	-2.820	2.820
CHELPG
AIM
ESP

<r²>	17.234
(<r²>)^1/2	4.151

All results from a given calculation for H2NO (nitroxide)

using model chemistry: ROHF/6-31G

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)