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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	-130.787134
Energy at 298.15K	-130.789103
HF Energy	-130.431510
Nuclear repulsion energy	35.369019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3510	3336	10.07
2	A₁	1719	1634	17.19
3	A₁	1523	1447	18.14
4	B₁	99	94	186.01
5	B₂	3656	3474	8.21
6	B₂	1302	1237	1.17

Atom	y (Å)	z (Å)
N1	0.000	-0.534
O2	0.000	0.728
H3	0.875	-1.045
H4	-0.875	-1.045

	N1	O2	H3	H4
N1		1.2624	1.0133	1.0133
O2	1.2624		1.9774	1.9774
H3	1.0133	1.9774		1.7503
H4	1.0133	1.9774	1.7503

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: MP2/6-311G**

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	0.534	0.000
O2	0.000	-0.728	0.000
H3	-0.000	1.045	0.875
H4	-0.000	1.045	-0.875

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	120.273		O2	N1	H4	120.273
H3	N1	H4	119.455

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	120.273		O2	N1	H4	120.273
H3	N1	H4	119.453

All results from a given calculation for H2NO (nitroxide)

using model chemistry: MP2/6-311G**

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)