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	hartrees
Energy at 0K	-131.528102
Energy at 298.15K	-131.532358
HF Energy	-131.528102
Nuclear repulsion energy	40.254455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	2980	153.77
2	A₁	1641	1560	0.56
3	A₁	1059	1007	106.62
4	E	3104	2952	53.00
4	E	3104	2952	53.01
5	E	1692	1610	2.89
5	E	1692	1610	2.89
6	E	1223	1163	39.47
6	E	1223	1163	39.47

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		1.3294	1.0434	1.0434	1.0434
O2	1.3294		2.0008	2.0008	2.0008
H3	1.0434	2.0008		1.6455	1.6455
H4	1.0434	2.0008	1.6455		1.6455
H5	1.0434	2.0008	1.6455	1.6455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	114.426	O2	N1	H4	114.426
O2	N1	H5	114.426	H3	N1	H4	104.093
H3	N1	H5	104.093	H4	N1	H5	104.093

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

using model chemistry: HSEh1PBE/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	-0.413
2	O	-0.607
3	H	0.340
4	H	0.340
5	H	0.340

	x	y	z	Total
	0.000	0.000	-5.084	5.084
CHELPG
AIM
ESP

<r²>	19.823
(<r²>)^1/2	4.452

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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