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	hartrees
Energy at 0K	-131.660817
Energy at 298.15K	-131.665043
HF Energy	-131.660817
Nuclear repulsion energy	39.908494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3011	2968	234.65
2	A₁	1583	1561	7.98
3	A₁	940	926	141.28
4	E	2942	2899	69.82
4	E	2942	2899	69.83
5	E	1581	1559	0.69
5	E	1581	1559	0.69
6	E	1176	1159	44.32
6	E	1176	1159	44.32

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.526
O2	0.000	0.000	0.819
H3	0.000	0.953	-0.959
H4	0.825	-0.477	-0.959
H5	-0.825	-0.477	-0.959

	N1	O2	H3	H4	H5
N1		1.3448	1.0469	1.0469	1.0469
O2	1.3448		2.0172	2.0172	2.0172
H3	1.0469	2.0172		1.6510	1.6510
H4	1.0469	2.0172	1.6510		1.6510
H5	1.0469	2.0172	1.6510	1.6510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	114.431	O2	N1	H4	114.431
O2	N1	H5	114.431	H3	N1	H4	104.087
H3	N1	H5	104.087	H4	N1	H5	104.087

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

using model chemistry: B97D3/TZVP

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	-0.079
2	O	-0.540
3	H	0.206
4	H	0.206
5	H	0.206

	x	y	z	Total
	0.000	0.000	-5.173	5.173
CHELPG
AIM
ESP

<r²>	20.339
(<r²>)^1/2	4.510

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

using model chemistry: B97D3/TZVP

States and conformations

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