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	hartrees
Energy at 0K	-131.768476
Energy at 298.15K
HF Energy	-131.768476
Nuclear repulsion energy	39.082554

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'	3783	3663	30.29	57.69	0.27	0.43
2	A'	3410	3302	2.74	112.85	0.10	0.18
3	A'	1665	1612	14.62	7.27	0.52	0.68
4	A'	1400	1356	20.98	2.70	0.70	0.83
5	A'	1158	1122	127.76	1.20	0.75	0.85
6	A'	916	887	10.77	13.62	0.19	0.32
7	A"	3487	3377	0.03	56.58	0.75	0.86
8	A"	1319	1278	0.00	5.62	0.75	0.86
9	A"	399	386	165.23	2.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.711	0.000
O2	-0.011	-0.741	0.000
H3	-0.955	-0.937	0.000
H4	0.563	0.943	0.810
H5	0.563	0.943	-0.810

	N1	O2	H3	H4	H5
N1		1.4527	1.8993	1.0193	1.0193
O2	1.4527		0.9639	1.9553	1.9553
H3	1.8993	0.9639		2.5486	2.5486
H4	1.0193	1.9553	2.5486		1.6191
H5	1.0193	1.9553	2.5486	1.6191

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.707		O2	N1	H4	103.156
O2	N1	H5	103.156		H4	N1	H5	105.164

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: TPSSh/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	-0.188
2	O	-0.343
3	H	0.240
4	H	0.145
5	H	0.145

	x	y	z	Total
	0.121	0.569	0.000	0.581
CHELPG
AIM
ESP

	x	y	z
x	2.166	0.374	0.000
y	0.374	2.735	0.000
z	0.000	0.000	1.995

<r²>	20.757
(<r²>)^1/2	4.556

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)