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	hartrees
Energy at 0K	-26.978421
Energy at 298.15K	-26.982583
HF Energy	-26.978421
Nuclear repulsion energy	24.098355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3627	3309	0.00
2	A₁	1567	1430	87.38
3	A₁	779	711	49.02
4	E	3767	3437	16.61
4	E	3767	3437	16.61
5	E	1843	1682	37.41
5	E	1843	1682	37.41
6	E	1060	968	38.56
6	E	1060	968	38.56

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.610
O2	0.000	0.000	0.887
H3	0.000	0.949	-0.941
H4	0.822	-0.474	-0.941
H5	-0.822	-0.474	-0.941

	N1	O2	H3	H4	H5
N1		1.4965	1.0049	1.0049	1.0049
O2	1.4965		2.0594	2.0594	2.0594
H3	1.0049	2.0594		1.6433	1.6433
H4	1.0049	2.0594	1.6433		1.6433
H5	1.0049	2.0594	1.6433	1.6433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	109.251	O2	N1	H4	109.251
O2	N1	H5	109.251	H3	N1	H4	109.691
H3	N1	H5	109.691	H4	N1	H5	109.691

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

using model chemistry: HF/CEP-121G

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	-0.549
2	O	-0.497
3	H	0.349
4	H	0.349
5	H	0.349

	x	y	z	Total
	0.000	0.000	-5.744	5.744
CHELPG
AIM
ESP

<r²>	19.294
(<r²>)^1/2	4.393

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

using model chemistry: HF/CEP-121G

States and conformations

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