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	hartrees
Energy at 0K	-131.682006
Energy at 298.15K
HF Energy	-131.682006
Nuclear repulsion energy	39.574032

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'	3908	3908	38.17	54.71	0.28	0.44
2	A'	3485	3485	1.84	95.36	0.11	0.20
3	A'	1687	1687	14.32	8.30	0.55	0.71
4	A'	1439	1439	28.11	2.78	0.75	0.86
5	A'	1177	1177	137.38	2.56	0.73	0.84
6	A'	1005	1005	14.89	10.36	0.16	0.28
7	A"	3570	3570	0.04	54.49	0.75	0.86
8	A"	1358	1358	0.00	6.61	0.75	0.86
9	A"	412	412	165.29	2.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.696	0.000
O2	-0.011	-0.728	0.000
H3	-0.946	-0.936	0.000
H4	0.554	0.946	0.809
H5	0.554	0.946	-0.809

	N1	O2	H3	H4	H5
N1		1.4243	1.8807	1.0178	1.0178
O2	1.4243		0.9580	1.9433	1.9433
H3	1.8807	0.9580		2.5389	2.5389
H4	1.0178	1.9433	2.5389		1.6175
H5	1.0178	1.9433	2.5389	1.6175

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.500		O2	N1	H4	104.212
O2	N1	H5	104.212		H4	N1	H5	105.227

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.419
2	O	-0.449
3	H	0.324
4	H	0.272
5	H	0.272

	x	y	z	Total
	0.110	0.528	0.000	0.539
CHELPG
AIM
ESP

	x	y	z
x	1.832	0.405	0.000
y	0.405	2.374	0.000
z	0.000	0.000	1.816

<r²>	20.225
(<r²>)^1/2	4.497

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)