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	hartrees
Energy at 0K	-130.931288
Energy at 298.15K	-130.935409
HF Energy	-130.931288
Nuclear repulsion energy	37.735186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3679	3312	1.45
2	A₁	1536	1383	112.67
3	A₁	724	652	63.97
4	E	3822	3441	30.40
4	E	3822	3441	30.40
5	E	1848	1664	40.17
5	E	1848	1664	40.17
6	E	1029	926	45.87
6	E	1029	926	45.87

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.620
O2	0.000	0.000	0.895
H3	0.000	0.951	-0.941
H4	0.824	-0.476	-0.941
H5	-0.824	-0.476	-0.941

	N1	O2	H3	H4	H5
N1		1.5152	1.0038	1.0038	1.0038
O2	1.5152		2.0676	2.0676	2.0676
H3	1.0038	2.0676		1.6475	1.6475
H4	1.0038	2.0676	1.6475		1.6475
H5	1.0038	2.0676	1.6475	1.6475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	108.633	O2	N1	H4	108.633
O2	N1	H5	108.633	H3	N1	H4	110.296
H3	N1	H5	110.296	H4	N1	H5	110.296

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

using model chemistry: HF/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	-0.601
2	O	-0.519
3	H	0.373
4	H	0.373
5	H	0.373

	x	y	z	Total
	0.000	0.000	-5.714	5.714
CHELPG
AIM
ESP

<r²>	21.789
(<r²>)^1/2	4.668

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

using model chemistry: HF/SDD

States and conformations

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