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	hartrees
Energy at 0K	-129.812784
Energy at 298.15K	-129.816985
HF Energy	-129.812784
Nuclear repulsion energy	38.628844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3034	2667	308.29
2	A₁	1821	1600	5.77
3	A₁	1055	927	87.92
4	E	2827	2485	231.10
4	E	2827	2485	231.10
5	E	1772	1557	2.67
5	E	1772	1557	2.68
6	E	1186	1042	30.40
6	E	1186	1042	30.40

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.521
O2	0.000	0.000	0.846
H3	0.000	0.979	-1.039
H4	0.848	-0.489	-1.039
H5	-0.848	-0.489	-1.039

	N1	O2	H3	H4	H5
N1		1.3668	1.1077	1.1077	1.1077
O2	1.3668		2.1242	2.1242	2.1242
H3	1.1077	2.1242		1.6956	1.6956
H4	1.1077	2.1242	1.6956		1.6956
H5	1.1077	2.1242	1.6956	1.6956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	117.904	O2	N1	H4	117.904
O2	N1	H5	117.904	H3	N1	H4	99.874
H3	N1	H5	99.874	H4	N1	H5	99.874

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

using model chemistry: mPW1PW91/STO-3G

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	-0.182
2	O	-0.324
3	H	0.168
4	H	0.168
5	H	0.168

	x	y	z	Total
	0.000	0.000	-3.905	3.905
CHELPG
AIM
ESP

<r²>	20.263
(<r²>)^1/2	4.501

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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