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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	-130.378365
Energy at 298.15K	-130.380622
HF Energy	-130.378365
Nuclear repulsion energy	34.612320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3820	3437	33.07
2	A₁	1824	1641	41.60
3	A₁	1354	1219	27.76
4	B₁	298	268	479.36
5	B₂	4007	3606	28.21
6	B₂	1354	1219	3.04

Atom	y (Å)	z (Å)
N1	0.000	-0.561
O2	0.000	0.751
H3	0.870	-1.039
H4	-0.870	-1.039

	N1	O2	H3	H4
N1		1.3116	0.9930	0.9930
O2	1.3116		1.9904	1.9904
H3	0.9930	1.9904		1.7401
H4	0.9930	1.9904	1.7401

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: HF/LANL2DZ

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'	3820	3437	33.06
2	A'	1824	1641	41.61
3	A'	1354	1219	27.74
4	A'	298	268	479.30
5	A"	4007	3606	28.18
6	A"	1354	1219	3.04

Atom	x (Å)	y (Å)	z (Å)
N1	-0.000	0.561	0.000
O2	-0.000	-0.751	0.000
H3	0.001	1.039	0.870
H4	0.001	1.039	-0.870

	N1	O2	H3	H4
N1		1.3115	0.9930	0.9930
O2	1.3115		1.9904	1.9904
H3	0.9930	1.9904		1.7401
H4	0.9930	1.9904	1.7401

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	118.811		O2	N1	H4	118.811
H3	N1	H4	122.377

Number	Element	Mulliken
1	N	-0.504
2	O	-0.198
3	H	0.351
4	H	0.351

	x	y	z	Total
	0.000	0.000	-2.908	2.908
CHELPG
AIM
ESP

<r²>	17.419
(<r²>)^1/2	4.174

All results from a given calculation for H2NO (nitroxide)

using model chemistry: HF/LANL2DZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)