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	hartrees
Energy at 0K	-131.745305
Energy at 298.15K
HF Energy	-131.745305
Nuclear repulsion energy	39.196561

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	3656	18.70	58.71	0.34	0.51
2	A'	3441	3325	3.73	100.29	0.13	0.23
3	A'	1733	1674	26.98	10.61	0.66	0.80
4	A'	1447	1398	28.07	4.97	0.75	0.86
5	A'	1184	1144	144.47	1.67	0.68	0.81
6	A'	937	905	12.05	13.92	0.21	0.34
7	A"	3517	3399	1.32	62.80	0.75	0.86
8	A"	1355	1309	0.04	10.05	0.75	0.86
9	A"	432	417	215.36	4.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.708	0.000
O2	-0.011	-0.738	0.000
H3	-0.950	-0.948	0.000
H4	0.556	0.947	0.811
H5	0.556	0.947	-0.811

	N1	O2	H3	H4	H5
N1		1.4455	1.9041	1.0179	1.0179
O2	1.4455		0.9629	1.9533	1.9533
H3	1.9041	0.9629		2.5530	2.5530
H4	1.0179	1.9533	2.5530		1.6218
H5	1.0179	1.9533	2.5530	1.6218

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.639		O2	N1	H4	103.556
O2	N1	H5	103.556		H4	N1	H5	105.622

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B3LYPultrafine/6-311G*

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	-0.562
2	O	-0.509
3	H	0.403
4	H	0.334
5	H	0.334

	x	y	z	Total
	0.092	0.624	0.000	0.631
CHELPG
AIM
ESP

	x	y	z
x	1.741	0.435	0.000
y	0.435	2.292	0.000
z	0.000	0.000	1.652

<r²>	20.692
(<r²>)^1/2	4.549

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)