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	hartrees
Energy at 0K	-131.692499
Energy at 298.15K	-131.696721
HF Energy	-131.692499
Nuclear repulsion energy	39.608077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3224	3109	90.91
2	A₁	1550	1495	0.27
3	A₁	945	911	56.27
4	E	3253	3137	0.93
4	E	3253	3137	0.93
5	E	1658	1599	11.42
5	E	1658	1599	11.42
6	E	1155	1114	33.71
6	E	1155	1114	33.71

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.543
O2	0.000	0.000	0.829
H3	0.000	0.954	-0.943
H4	0.826	-0.477	-0.943
H5	-0.826	-0.477	-0.943

	N1	O2	H3	H4	H5
N1		1.3723	1.0344	1.0344	1.0344
O2	1.3723		2.0128	2.0128	2.0128
H3	1.0344	2.0128		1.6521	1.6521
H4	1.0344	2.0128	1.6521		1.6521
H5	1.0344	2.0128	1.6521	1.6521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	112.758	O2	N1	H4	112.758
O2	N1	H5	112.758	H3	N1	H4	105.994
H3	N1	H5	105.994	H4	N1	H5	105.993

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

using model chemistry: B3LYP/6-31+G**

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	-0.493
2	O	-0.505
3	H	0.333
4	H	0.333
5	H	0.333

	x	y	z	Total
	0.000	0.000	-5.751	5.751
CHELPG
AIM
ESP

<r²>	20.711
(<r²>)^1/2	4.551

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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