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	hartrees
Energy at 0K	-131.516905
Energy at 298.15K	-131.521162
HF Energy	-131.516905
Nuclear repulsion energy	40.261506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3139	2983	149.96
2	A₁	1641	1559	0.42
3	A₁	1065	1012	105.41
4	E	3113	2958	49.92
4	E	3113	2958	49.93
5	E	1693	1609	3.14
5	E	1693	1609	3.14
6	E	1224	1163	38.97
6	E	1224	1163	38.97

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.519
O2	0.000	0.000	0.810
H3	0.000	0.950	-0.950
H4	0.823	-0.475	-0.950
H5	-0.823	-0.475	-0.950

	N1	O2	H3	H4	H5
N1		1.3292	1.0433	1.0433	1.0433
O2	1.3292		2.0002	2.0002	2.0002
H3	1.0433	2.0002		1.6456	1.6456
H4	1.0433	2.0002	1.6456		1.6456
H5	1.0433	2.0002	1.6456	1.6456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	114.402	O2	N1	H4	114.402
O2	N1	H5	114.402	H3	N1	H4	104.121
H3	N1	H5	104.121	H4	N1	H5	104.121

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

using model chemistry: PBE1PBE/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	-0.416
2	O	-0.608
3	H	0.341
4	H	0.341
5	H	0.341

	x	y	z	Total
	0.000	0.000	-5.090	5.090
CHELPG
AIM
ESP

<r²>	19.816
(<r²>)^1/2	4.451

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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