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	hartrees
Energy at 0K	-131.720871
Energy at 298.15K
HF Energy	-131.720871
Nuclear repulsion energy	39.604125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3865	3865	45.73	63.71	0.19	0.32
2	A'	3483	3483	1.87	123.84	0.07	0.13
3	A'	1675	1675	14.15	4.18	0.52	0.68
4	A'	1405	1405	27.16	3.03	0.16	0.27
5	A'	1149	1149	125.15	2.62	0.12	0.21
6	A'	972	972	14.67	8.60	0.26	0.41
7	A"	3562	3562	2.91	52.77	0.75	0.86
8	A"	1343	1343	0.13	2.04	0.75	0.86
9	A"	425	425	164.66	0.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.696	0.000
O2	-0.010	-0.728	0.000
H3	-0.943	-0.943	0.000
H4	0.545	0.949	0.809
H5	0.545	0.949	-0.809

	N1	O2	H3	H4	H5
N1		1.4243	1.8864	1.0131	1.0131
O2	1.4243		0.9575	1.9433	1.9433
H3	1.8864	0.9575		2.5397	2.5397
H4	1.0131	1.9433	2.5397		1.6181
H5	1.0131	1.9433	2.5397	1.6181

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.984		O2	N1	H4	104.474
O2	N1	H5	104.474		H4	N1	H5	105.989

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B1B95/daug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-0.197
2	O	-0.773
3	H	0.389
4	H	0.291
5	H	0.291

	x	y	z	Total
	0.101	0.555	0.000	0.564
CHELPG
AIM
ESP

	x	y	z
x	2.651	0.242	0.000
y	0.242	3.183	0.000
z	0.000	0.000	2.491

<r²>	20.598
(<r²>)^1/2	4.538

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B1B95/daug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)