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	hartrees
Energy at 0K	-130.969474
Energy at 298.15K	-130.973702
HF Energy	-130.969474
Nuclear repulsion energy	39.307403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2933	2873	251.22
2	A₁	1609	1576	4.65
3	A₁	959	939	122.12
4	E	2801	2744	185.45
4	E	2801	2744	185.48
5	E	1620	1587	0.35
5	E	1620	1587	0.35
6	E	1178	1155	93.45
6	E	1178	1155	93.45

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.533
O2	0.000	0.000	0.832
H3	0.000	0.966	-0.975
H4	0.837	-0.483	-0.975
H5	-0.837	-0.483	-0.975

	N1	O2	H3	H4	H5
N1		1.3656	1.0623	1.0623	1.0623
O2	1.3656		2.0491	2.0491	2.0491
H3	1.0623	2.0491		1.6737	1.6737
H4	1.0623	2.0491	1.6737		1.6737
H5	1.0623	2.0491	1.6737	1.6737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	114.545	O2	N1	H4	114.545
O2	N1	H5	114.545	H3	N1	H4	103.955
H3	N1	H5	103.955	H4	N1	H5	103.955

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

using model chemistry: LSDA/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	-0.475
2	O	-0.514
3	H	0.330
4	H	0.330
5	H	0.330

	x	y	z	Total
	0.000	0.000	-5.167	5.167
CHELPG
AIM
ESP

<r²>	20.672
(<r²>)^1/2	4.547

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

using model chemistry: LSDA/6-31G

States and conformations

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