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	hartrees
Energy at 0K	-130.936832
Energy at 298.15K
HF Energy	-130.936832
Nuclear repulsion energy	38.209040

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'	3595	3407	8.72	78.38	0.34	0.51
2	A'	3373	3197	1.00	111.87	0.14	0.24
3	A'	1718	1628	18.52	15.12	0.55	0.71
4	A'	1407	1334	29.46	8.33	0.71	0.83
5	A'	1124	1065	141.23	4.08	0.74	0.85
6	A'	946	897	21.67	15.68	0.11	0.20
7	A"	3479	3298	3.12	62.18	0.75	0.86
8	A"	1292	1225	0.00	12.65	0.75	0.86
9	A"	423	401	241.53	9.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.009	0.732	0.000
O2	-0.009	-0.763	0.000
H3	-0.979	-0.945	0.000
H4	0.556	0.961	0.828
H5	0.556	0.961	-0.828

	N1	O2	H3	H4	H5
N1		1.4948	1.9370	1.0279	1.0279
O2	1.4948		0.9870	1.9938	1.9938
H3	1.9370	0.9870		2.5831	2.5831
H4	1.0279	1.9938	2.5831		1.6554
H5	1.0279	1.9938	2.5831	1.6554

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	100.614		O2	N1	H4	102.863
O2	N1	H5	102.863		H4	N1	H5	107.266

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: wB97X-D/3-21G*

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	-0.499
2	O	-0.486
3	H	0.375
4	H	0.305
5	H	0.305

	x	y	z	Total
	0.203	0.670	0.000	0.700
CHELPG
AIM
ESP

	x	y	z
x	1.366	0.562	0.000
y	0.562	2.041	0.000
z	0.000	0.000	1.275

<r²>	21.071
(<r²>)^1/2	4.590

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)