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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	-129.874133
Energy at 298.15K	-129.876199
HF Energy	-129.665675
Nuclear repulsion energy	33.838365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3489	3307	32.88
2	A₁	1732	1642	43.27
3	A₁	1284	1217	21.00
4	B₁	169	160	328.63
5	B₂	3644	3455	6.24
6	B₂	1236	1172	3.79

Atom	y (Å)	z (Å)
N1	0.000	-0.572
O2	0.000	0.770
H3	0.878	-1.077
H4	-0.878	-1.077

	N1	O2	H3	H4
N1		1.3421	1.0127	1.0127
O2	1.3421		2.0448	2.0448
H3	1.0127	2.0448		1.7560
H4	1.0127	2.0448	1.7560

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: MP2=FULL/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'	3490	3309	32.86
2	A'	1731	1641	43.23
3	A'	1284	1217	21.00
4	A'	162	154	328.76
5	A"	3646	3456	6.30
6	A"	1236	1172	3.79

Atom	x (Å)	y (Å)	z (Å)
N1	-0.000	0.572	0.000
O2	-0.000	-0.770	0.000
H3	0.000	1.076	0.878
H4	0.000	1.076	-0.878

	N1	O2	H3	H4
N1		1.3420	1.0126	1.0126
O2	1.3420		2.0443	2.0443
H3	1.0126	2.0443		1.7563
H4	1.0126	2.0443	1.7563

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	119.887		O2	N1	H4	119.887
H3	N1	H4	120.226

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	119.860		O2	N1	H4	119.860
H3	N1	H4	120.280

All results from a given calculation for H2NO (nitroxide)

using model chemistry: MP2=FULL/3-21G*

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)