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	hartrees
Energy at 0K	-131.605517
Energy at 298.15K
HF Energy	-131.605517
Nuclear repulsion energy	38.719584

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'	3693	3522	17.33	78.53	0.32	0.49
2	A'	3480	3319	0.54	114.67	0.13	0.24
3	A'	1713	1634	22.91	13.75	0.60	0.75
4	A'	1393	1328	34.91	6.89	0.70	0.82
5	A'	1094	1043	161.32	4.69	0.75	0.86
6	A'	860	820	30.16	18.13	0.12	0.21
7	A"	3612	3445	0.03	57.50	0.75	0.86
8	A"	1300	1240	0.23	12.16	0.75	0.86
9	A"	475	453	266.71	9.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.005	0.717	0.000
O2	-0.005	-0.750	0.000
H3	-0.953	-0.975	0.000
H4	0.517	0.980	0.832
H5	0.517	0.980	-0.832

	N1	O2	H3	H4	H5
N1		1.4675	1.9395	1.0169	1.0169
O2	1.4675		0.9737	1.9895	1.9895
H3	1.9395	0.9737		2.5834	2.5834
H4	1.0169	1.9895	2.5834		1.6644
H5	1.0169	1.9895	2.5834	1.6644

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	103.349		O2	N1	H4	104.957
O2	N1	H5	104.957		H4	N1	H5	109.834

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B1B95/6-31G

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	-0.493
2	O	-0.543
3	H	0.397
4	H	0.320
5	H	0.320

	x	y	z	Total
	0.095	0.766	0.000	0.772
CHELPG
AIM
ESP

	x	y	z
x	1.453	0.516	0.000
y	0.516	2.251	0.000
z	0.000	0.000	1.401

<r²>	21.026
(<r²>)^1/2	4.585

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)