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	hartrees
Energy at 0K	-131.679921
Energy at 298.15K	-131.684159
HF Energy	-131.679921
Nuclear repulsion energy	39.921294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3286	3140	47.04
2	A₁	1524	1457	17.68
3	A₁	1013	968	42.09
4	E	3339	3191	5.52
4	E	3339	3191	5.40
5	E	1663	1589	17.43
5	E	1662	1589	17.44
6	E	1155	1104	15.20
6	E	1155	1103	15.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.541
O2	0.000	0.000	0.821
H3	0.000	0.951	-0.928
H4	0.824	-0.476	-0.928
H5	-0.824	-0.476	-0.928

	N1	O2	H3	H4	H5
N1		1.3618	1.0273	1.0273	1.0273
O2	1.3618		1.9910	1.9910	1.9910
H3	1.0273	1.9910		1.6480	1.6480
H4	1.0273	1.9910	1.6480		1.6480
H5	1.0273	1.9910	1.6480	1.6480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	112.145	O2	N1	H4	112.145
O2	N1	H5	112.145	H3	N1	H4	106.670
H3	N1	H5	106.670	H4	N1	H5	106.670

All results from a given calculation for NH₃O (Ammonia Oxide)

using model chemistry: M06-2X/aug-cc-pVTZ

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	0.186
2	O	-0.730
3	H	0.181
4	H	0.181
5	H	0.181

	x	y	z	Total
	0.000	0.000	-5.374	5.374
CHELPG
AIM
ESP

<r²>	20.377
(<r²>)^1/2	4.514

All results from a given calculation for NH3O (Ammonia Oxide)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₃O (Ammonia Oxide)