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	hartrees
Energy at 0K	-130.944040
Energy at 298.15K	-130.948272
HF Energy	-130.944040
Nuclear repulsion energy	39.900499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3588	3238	5.02
2	A₁	1637	1478	36.69
3	A₁	929	839	0.09
4	E	3685	3326	5.63
4	E	3685	3326	5.63
5	E	1816	1639	21.87
5	E	1816	1639	21.87
6	E	1196	1080	24.45
6	E	1196	1080	24.45

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.550
O2	0.000	0.000	0.827
H3	0.000	0.937	-0.924
H4	0.812	-0.469	-0.924
H5	-0.812	-0.469	-0.924

	N1	O2	H3	H4	H5
N1		1.3772	1.0092	1.0092	1.0092
O2	1.3772		1.9865	1.9865	1.9865
H3	1.0092	1.9865		1.6233	1.6233
H4	1.0092	1.9865	1.6233		1.6233
H5	1.0092	1.9865	1.6233	1.6233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	111.775	O2	N1	H4	111.775
O2	N1	H5	111.775	H3	N1	H4	107.073
H3	N1	H5	107.073	H4	N1	H5	107.073

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

using model chemistry: HF/6-31G**

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	-0.256
2	O	-0.684
3	H	0.314
4	H	0.314
5	H	0.314

	x	y	z	Total
	0.000	0.000	-5.614	5.614
CHELPG
AIM
ESP

<r²>	19.950
(<r²>)^1/2	4.467

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

using model chemistry: HF/6-31G**

States and conformations

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