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	hartrees
Energy at 0K	-131.625411
Energy at 298.15K
HF Energy	-131.625411
Nuclear repulsion energy	38.837213

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'	3694	3652	29.02	61.79	0.29	0.45
2	A'	3336	3298	2.76	118.33	0.11	0.19
3	A'	1617	1599	19.89	11.08	0.62	0.77
4	A'	1355	1339	25.93	3.53	0.69	0.82
5	A'	1112	1099	125.30	1.61	0.49	0.66
6	A'	876	866	13.28	11.83	0.22	0.36
7	A"	3422	3383	0.10	64.36	0.75	0.86
8	A"	1280	1265	0.08	10.28	0.75	0.86
9	A"	425	420	191.82	2.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.714	0.000
O2	-0.011	-0.746	0.000
H3	-0.964	-0.938	0.000
H4	0.564	0.955	0.816
H5	0.564	0.955	-0.816

	N1	O2	H3	H4	H5
N1		1.4599	1.9074	1.0271	1.0271
O2	1.4599		0.9725	1.9720	1.9720
H3	1.9074	0.9725		2.5662	2.5662
H4	1.0271	1.9720	2.5662		1.6323
H5	1.0271	1.9720	2.5662	1.6323

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.401		O2	N1	H4	103.553
O2	N1	H5	103.553		H4	N1	H5	105.236

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: PBEPBEultrafine/TZVP

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	-0.351
2	O	-0.365
3	H	0.282
4	H	0.217
5	H	0.217

	x	y	z	Total
	0.138	0.610	0.000	0.625
CHELPG
AIM
ESP

	x	y	z
x	2.103	0.351	0.000
y	0.351	2.612	0.000
z	0.000	0.000	1.979

<r²>	21.133
(<r²>)^1/2	4.597

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)