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	hartrees
Energy at 0K	-131.559718
Energy at 298.15K
HF Energy	-131.559718
Nuclear repulsion energy	39.484505

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'	3815	3636	30.13	65.37	0.31	0.47
2	A'	3459	3296	3.02	107.18	0.13	0.22
3	A'	1722	1642	17.49	12.64	0.57	0.72
4	A'	1457	1389	23.47	5.14	0.75	0.85
5	A'	1199	1143	149.13	3.18	0.74	0.85
6	A'	998	952	13.08	11.14	0.18	0.31
7	A"	3554	3387	0.87	63.49	0.75	0.86
8	A"	1370	1305	0.02	10.33	0.75	0.86
9	A"	430	410	195.87	4.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.698	0.000
O2	-0.011	-0.729	0.000
H3	-0.956	-0.931	0.000
H4	0.561	0.940	0.810
H5	0.561	0.940	-0.810

	N1	O2	H3	H4	H5
N1		1.4270	1.8832	1.0202	1.0202
O2	1.4270		0.9659	1.9409	1.9409
H3	1.8832	0.9659		2.5407	2.5407
H4	1.0202	1.9409	2.5407		1.6191
H5	1.0202	1.9409	2.5407	1.6191

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.084		O2	N1	H4	103.709
O2	N1	H5	103.709		H4	N1	H5	105.035

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: PBE1PBE/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	-0.529
2	O	-0.563
3	H	0.426
4	H	0.333
5	H	0.333

	x	y	z	Total
	0.159	0.544	0.000	0.567
CHELPG
AIM
ESP

	x	y	z
x	1.641	0.453	0.000
y	0.453	2.163	0.000
z	0.000	0.000	1.597

<r²>	20.344
(<r²>)^1/2	4.510

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: PBE1PBE/6-31G**

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)