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	hartrees
Energy at 0K	-131.689728
Energy at 298.15K
HF Energy	-131.525978
Nuclear repulsion energy	39.351501

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'	3858	3858	48.42	53.37	0.23	0.37
2	A'	3486	3486	1.31	103.12	0.08	0.16
3	A'	1677	1677	16.38	3.38	0.62	0.76
4	A'	1405	1405	28.61	2.64	0.24	0.39
5	A'	1153	1153	126.89	1.80	0.10	0.18
6	A'	938	938	12.82	13.16	0.23	0.37
7	A"	3569	3569	4.30	49.67	0.75	0.86
8	A"	1340	1340	0.10	3.33	0.75	0.86
9	A"	424	424	170.55	0.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.010	0.703	0.000
O2	-0.010	-0.735	0.000
H3	-0.946	-0.946	0.000
H4	0.547	0.951	0.811
H5	0.547	0.951	-0.811

	N1	O2	H3	H4	H5
N1		1.4384	1.8965	1.0143	1.0143
O2	1.4384		0.9595	1.9517	1.9517
H3	1.8965	0.9595		2.5465	2.5465
H4	1.0143	1.9517	2.5465		1.6213
H5	1.0143	1.9517	2.5465	1.6213

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.707		O2	N1	H4	104.112
O2	N1	H5	104.112		H4	N1	H5	106.111

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

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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All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)