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	hartrees
Energy at 0K	-130.856871
Energy at 298.15K	-130.861041
HF Energy	-130.856871
Nuclear repulsion energy	37.947760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3179	3047	23.60
2	A₁	1470	1410	12.22
3	A₁	864	828	5.86
4	E	3228	3094	0.18
4	E	3228	3094	0.20
5	E	1729	1658	17.35
5	E	1729	1658	17.41
6	E	1033	990	56.64
6	E	1033	990	56.89

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.588
O2	0.000	0.000	0.879
H3	0.000	0.965	-0.970
H4	0.836	-0.482	-0.970
H5	-0.836	-0.482	-0.970

	N1	O2	H3	H4	H5
N1		1.4671	1.0377	1.0377	1.0377
O2	1.4671		2.0855	2.0855	2.0855
H3	1.0377	2.0855		1.6713	1.6713
H4	1.0377	2.0855	1.6713		1.6713
H5	1.0377	2.0855	1.6713	1.6713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	111.583	O2	N1	H4	111.583
O2	N1	H5	111.583	H3	N1	H4	107.280
H3	N1	H5	107.280	H4	N1	H5	107.280

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

using model chemistry: M06-2X/3-21G

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	-0.501
2	O	-0.510
3	H	0.337
4	H	0.337
5	H	0.337

	x	y	z	Total
	0.000	0.000	-5.460	5.460
CHELPG
AIM
ESP

<r²>	21.164
(<r²>)^1/2	4.600

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

using model chemistry: M06-2X/3-21G

States and conformations

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