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	hartrees
Energy at 0K	-131.687988
Energy at 298.15K
HF Energy	-131.687988
Nuclear repulsion energy	39.589632

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'	3848	3689	22.90	57.07	0.34	0.51
2	A'	3487	3343	3.17	96.95	0.13	0.23
3	A'	1749	1677	26.88	10.34	0.67	0.80
4	A'	1463	1402	29.23	4.87	0.75	0.85
5	A'	1193	1144	148.69	2.04	0.63	0.77
6	A'	987	946	13.65	12.17	0.20	0.33
7	A"	3567	3419	0.61	60.39	0.75	0.86
8	A"	1378	1321	0.04	9.93	0.75	0.86
9	A"	445	427	218.20	4.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.697	0.000
O2	-0.011	-0.728	0.000
H3	-0.944	-0.944	0.000
H4	0.551	0.942	0.808
H5	0.551	0.942	-0.808

	N1	O2	H3	H4	H5
N1		1.4251	1.8882	1.0143	1.0143
O2	1.4251		0.9581	1.9386	1.9386
H3	1.8882	0.9581		2.5391	2.5391
H4	1.0143	1.9386	2.5391		1.6163
H5	1.0143	1.9386	2.5391	1.6163

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	103.040		O2	N1	H4	103.977
O2	N1	H5	103.977		H4	N1	H5	105.641

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B1B95/6-311G*

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	-0.579
2	O	-0.515
3	H	0.411
4	H	0.342
5	H	0.342

	x	y	z	Total
	0.072	0.614	0.000	0.618
CHELPG
AIM
ESP

	x	y	z
x	1.702	0.420	0.000
y	0.420	2.217	0.000
z	0.000	0.000	1.627

<r²>	20.357
(<r²>)^1/2	4.512

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)