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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	-26.418893
Energy at 298.15K	-26.421127
HF Energy	-26.418893
Nuclear repulsion energy	20.825989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3825	3448	30.44
2	A₁	1816	1637	43.41
3	A₁	1385	1249	27.29
4	B₁	278	250	523.43
5	B₂	4019	3623	25.18
6	B₂	1348	1215	2.24

Atom	y (Å)	z (Å)
N1	0.000	-0.564
O2	0.000	0.754
H3	0.875	-1.043
H4	-0.875	-1.043

	N1	O2	H3	H4
N1		1.3184	0.9974	0.9974
O2	1.3184		1.9988	1.9988
H3	0.9974	1.9988		1.7501
H4	0.9974	1.9988	1.7501

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: HF/CEP-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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Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.564	0.000
O2	0.000	-0.754	0.000
H3	-0.000	1.043	0.875
H4	-0.000	1.043	-0.875

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	118.679		O2	N1	H4	118.679
H3	N1	H4	122.642

Number	Element	Mulliken
1	N	-0.488
2	O	-0.159
3	H	0.324
4	H	0.324

	x	y	z	Total
	0.000	0.000	-2.920	2.920
CHELPG
AIM
ESP

<r²>	15.743
(<r²>)^1/2	3.968

All results from a given calculation for H2NO (nitroxide)

using model chemistry: HF/CEP-31G

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)