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	hartrees
Energy at 0K	-131.731857
Energy at 298.15K	-131.736082
HF Energy	-131.731857
Nuclear repulsion energy	39.920113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3185	3079	116.05
2	A₁	1547	1495	1.53
3	A₁	944	912	73.40
4	E	3178	3072	7.69
4	E	3178	3072	7.69
5	E	1650	1595	9.47
5	E	1650	1595	9.47
6	E	1157	1119	22.39
6	E	1157	1119	22.39

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.534
O2	0.000	0.000	0.821
H3	0.000	0.949	-0.944
H4	0.822	-0.475	-0.944
H5	-0.822	-0.475	-0.944

	N1	O2	H3	H4	H5
N1		1.3551	1.0339	1.0339	1.0339
O2	1.3551		2.0039	2.0039	2.0039
H3	1.0339	2.0039		1.6442	1.6442
H4	1.0339	2.0039	1.6442		1.6442
H5	1.0339	2.0039	1.6442	1.6442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	113.349	O2	N1	H4	113.349
O2	N1	H5	113.349	H3	N1	H4	105.330
H3	N1	H5	105.330	H4	N1	H5	105.330

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

using model chemistry: B3LYPultrafine/cc-pVTZ

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	0.190
2	O	-0.587
3	H	0.132
4	H	0.132
5	H	0.132

	x	y	z	Total
	0.000	0.000	-5.124	5.124
CHELPG
AIM
ESP

<r²>	20.174
(<r²>)^1/2	4.492

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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