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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	-130.302364
Energy at 298.15K	-130.304483
HF Energy	-130.302364
Nuclear repulsion energy	33.935731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3438	3289	5.49
2	A₁	1688	1615	17.49
3	A₁	1242	1188	0.60
4	B₁	207	198	321.71
5	B₂	3581	3426	0.94
6	B₂	1211	1158	5.28

Atom	y (Å)	z (Å)
N1	0.000	-0.569
O2	0.000	0.767
H3	0.879	-1.076
H4	-0.879	-1.076

	N1	O2	H3	H4
N1		1.3357	1.0147	1.0147
O2	1.3357		2.0418	2.0418
H3	1.0147	2.0418		1.7575
H4	1.0147	2.0418	1.7575

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: B1B95/3-21G

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'	3438	3289	5.48
2	A'	1688	1615	17.48
3	A'	1242	1189	0.60
4	A'	206	197	321.66
5	A"	3581	3426	0.93
6	A"	1211	1158	5.27

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	120.001		O2	N1	H4	120.001
H3	N1	H4	119.997

Number	Element	Mulliken
1	N	-0.378
2	O	-0.281
3	H	0.330
4	H	0.330

	x	y	z	Total
	0.000	0.000	-3.005	3.005
CHELPG
AIM
ESP

<r²>	17.442
(<r²>)^1/2	4.176

All results from a given calculation for H2NO (nitroxide)

using model chemistry: B1B95/3-21G

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)