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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	-130.884219
Energy at 298.15K	-130.886549
HF Energy	-130.809025
Nuclear repulsion energy	34.200237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3522	3522	7.18
2	A₁	1723	1723	18.95
3	A₁	1266	1266	0.37
4	B₁	374	374	335.55
5	B₂	3678	3678	2.67
6	B₂	1254	1254	5.80

Atom	y (Å)	z (Å)
N1	0.000	-0.564
O2	0.000	0.760
H3	0.877	-1.066
H4	-0.877	-1.066

	N1	O2	H3	H4
N1		1.3233	1.0112	1.0112
O2	1.3233		2.0259	2.0259
H3	1.0112	2.0259		1.7549
H4	1.0112	2.0259	1.7549

All results from a given calculation for H₂NO (nitroxide)

using model chemistry: B2PLYP=FULL/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'	3524	3524	7.22
2	A'	1722	1722	18.99
3	A'	1266	1266	0.36
4	A'	371	371	335.78
5	A"	3680	3680	2.74
6	A"	1253	1253	5.80

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	H3	119.807		O2	N1	H4	119.807
H3	N1	H4	120.385

All results from a given calculation for H2NO (nitroxide)

using model chemistry: B2PLYP=FULL/6-31G

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for H₂NO (nitroxide)