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	hartrees
Energy at 0K	-131.667678
Energy at 298.15K	-131.671831
HF Energy	-131.667678
Nuclear repulsion energy	38.097685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3262	3136	56.20
2	A₁	1519	1460	2.92
3	A₁	795	764	5.83
4	E	3332	3203	2.64
4	E	3332	3203	2.64
5	E	1689	1623	21.33
5	E	1689	1623	21.33
6	E	1057	1016	61.35
6	E	1057	1016	61.35

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.586
O2	0.000	0.000	0.874
H3	0.000	0.964	-0.964
H4	0.835	-0.482	-0.964
H5	-0.835	-0.482	-0.964

	N1	O2	H3	H4	H5
N1		1.4605	1.0350	1.0350	1.0350
O2	1.4605		2.0753	2.0753	2.0753
H3	1.0350	2.0753		1.6693	1.6693
H4	1.0350	2.0753	1.6693		1.6693
H5	1.0350	2.0753	1.6693	1.6693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	111.386	O2	N1	H4	111.386
O2	N1	H5	111.386	H3	N1	H4	107.491
H3	N1	H5	107.491	H4	N1	H5	107.491

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

using model chemistry: B3LYP/SDD

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	-0.494
2	O	-0.503
3	H	0.332
4	H	0.332
5	H	0.332

	x	y	z	Total
	0.000	0.000	-5.776	5.776
CHELPG
AIM
ESP

<r²>	21.425
(<r²>)^1/2	4.629

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

using model chemistry: B3LYP/SDD

States and conformations

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