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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	-130.383506
Energy at 298.15K	-130.385937
HF Energy	-130.383506
Nuclear repulsion energy	34.465068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3336	3268	0.90
2	A₁	1669	1635	9.40
3	A₁	1329	1302	6.14
4	B₁	483	473	304.55
5	B₂	3451	3381	4.43
6	B₂	1236	1211	10.74

Atom	y (Å)	z (Å)
N1	0.000	-0.551
O2	0.000	0.750
H3	0.883	-1.075
H4	-0.883	-1.075

	N1	O2	H3	H4
N1		1.3011	1.0271	1.0271
O2	1.3011		2.0277	2.0277
H3	1.0271	2.0277		1.7666
H4	1.0271	2.0277	1.7666

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: LSDA/6-31G

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'	3337	3269	0.89
2	A'	1668	1634	9.43
3	A'	1329	1302	6.10
4	A'	482	472	304.73
5	A"	3453	3383	4.35
6	A"	1235	1210	10.74

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.551	0.000
O2	0.000	-0.750	0.000
H3	-0.000	1.074	0.883
H4	-0.000	1.074	-0.883

	N1	O2	H3	H4
N1		1.3011	1.0270	1.0270
O2	1.3011		2.0275	2.0275
H3	1.0270	2.0275		1.7667
H4	1.0270	2.0275	1.7667

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	120.686		O2	N1	H4	120.686
H3	N1	H4	118.628

Number	Element	Mulliken
1	N	-0.357
2	O	-0.319
3	H	0.338
4	H	0.338

	x	y	z	Total
	0.000	0.000	-3.299	3.299
CHELPG
AIM
ESP

<r²>	17.438
(<r²>)^1/2	4.176

All results from a given calculation for H2NO (nitroxide)

using model chemistry: LSDA/6-31G

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)