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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	-130.910242
Energy at 298.15K
HF Energy	-130.448166
Nuclear repulsion energy	35.568896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3574	3333	8.16
2	A₁	1723	1607	21.52
3	A₁	1510	1408	6.94
4	B₁	32i	29i	181.55
5	B₂	3711	3461	15.48
6	B₂	1305	1217	0.56

Atom	y (Å)	z (Å)
N1	0.000	-0.532
O2	0.000	0.725
H3	0.869	-1.036
H4	-0.869	-1.036

	N1	O2	H3	H4
N1		1.2570	1.0042	1.0042
O2	1.2570		1.9632	1.9632
H3	1.0042	1.9632		1.7378
H4	1.0042	1.9632	1.7378

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: MP3=FULL/cc-pVTZ

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'	3574	3333	8.14
2	A'	1723	1607	21.53
3	A'	1510	1408	6.92
4	A'	35	33	181.55
5	A"	3711	3461	15.43
6	A"	1305	1217	0.56

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	120.088		O2	N1	H4	120.088
H3	N1	H4	119.825

All results from a given calculation for H2NO (nitroxide)

using model chemistry: MP3=FULL/cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)