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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	-130.315460
Energy at 298.15K	-130.317596
HF Energy	-130.315460
Nuclear repulsion energy	33.925423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3472	3290	8.59
2	A₁	1688	1600	21.59
3	A₁	1254	1188	1.02
4	B₁	219	208	335.52
5	B₂	3614	3425	3.10
6	B₂	1217	1153	4.97

Atom	y (Å)	z (Å)
N1	0.000	-0.570
O2	0.000	0.767
H3	0.880	-1.074
H4	-0.880	-1.074

	N1	O2	H3	H4
N1		1.3366	1.0143	1.0143
O2	1.3366		2.0403	2.0403
H3	1.0143	2.0403		1.7603
H4	1.0143	2.0403	1.7603

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: wB97X-D/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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3472	3291	8.58
2	A'	1688	1600	21.59
3	A'	1254	1188	1.02
4	A'	218	207	335.51
5	A"	3614	3425	3.10
6	A"	1217	1153	4.97

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	119.801		O2	N1	H4	119.801
H3	N1	H4	120.397

Number	Element	Mulliken
1	N	-0.388
2	O	-0.285
3	H	0.336
4	H	0.336

	x	y	z	Total
	0.000	0.000	-3.063	3.063
CHELPG
AIM
ESP

<r²>	17.430
(<r²>)^1/2	4.175

All results from a given calculation for H2NO (nitroxide)

using model chemistry: wB97X-D/3-21G*

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)