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	hartrees
Energy at 0K	-131.619230
Energy at 298.15K	-131.623480
HF Energy	-131.619230
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3204	3039	116.19
2	A₁	1623	1539	0.15
3	A₁	1035	982	77.64
4	E	3210	3045	27.52
4	E	3210	3045	27.49
5	E	1703	1616	6.30
5	E	1703	1616	6.30
6	E	1210	1148	36.19
6	E	1210	1148	36.15

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.536
O2	0.000	0.000	0.822
H3	0.000	0.951	-0.942
H4	0.824	-0.476	-0.942
H5	-0.824	-0.476	-0.942

	N1	O2	H3	H4	H5
N1		1.3579	1.0346	1.0346	1.0346
O2	1.3579		2.0044	2.0044	2.0044
H3	1.0346	2.0044		1.6480	1.6480
H4	1.0346	2.0044	1.6480		1.6480
H5	1.0346	2.0044	1.6480	1.6480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	113.120	O2	N1	H4	113.120
O2	N1	H5	113.120	H3	N1	H4	105.588
H3	N1	H5	105.588	H4	N1	H5	105.588

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

using model chemistry: wB97X-D/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	-0.420
2	O	-0.621
3	H	0.347
4	H	0.347
5	H	0.347

	x	y	z	Total
	0.000	0.000	-5.272	5.272
CHELPG
AIM
ESP

<r²>	19.867
(<r²>)^1/2	4.457

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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