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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	-130.222989
Energy at 298.15K	-130.225087
HF Energy	-130.222989
Nuclear repulsion energy	33.926362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3430	3293	5.32
2	A₁	1689	1621	17.61
3	A₁	1242	1193	0.64
4	B₁	193	185	323.35
5	B₂	3570	3427	0.71
6	B₂	1214	1166	5.34

Atom	y (Å)	z (Å)
N1	0.000	-0.568
O2	0.000	0.767
H3	0.880	-1.078
H4	-0.880	-1.078

	N1	O2	H3	H4
N1		1.3353	1.0164	1.0164
O2	1.3353		2.0434	2.0434
H3	1.0164	2.0434		1.7595
H4	1.0164	2.0434	1.7595

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: HSEh1PBE/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'	3431	3293	5.32
2	A'	1689	1621	17.62
3	A'	1242	1193	0.64
4	A'	192	184	323.41
5	A"	3571	3428	0.71
6	A"	1214	1166	5.34

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	120.057		O2	N1	H4	120.057
H3	N1	H4	119.885

Number	Element	Mulliken
1	N	-0.383
2	O	-0.280
3	H	0.332
4	H	0.332

	x	y	z	Total
	0.000	0.000	-2.993	2.993
CHELPG
AIM
ESP

<r²>	17.471
(<r²>)^1/2	4.180

All results from a given calculation for H2NO (nitroxide)

using model chemistry: HSEh1PBE/3-21G*

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)