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	hartrees
Energy at 0K	-131.084401
Energy at 298.15K	-131.088650
HF Energy	-131.084401
Nuclear repulsion energy	40.334298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2970	2936	245.21
2	A₁	1572	1554	5.12
3	A₁	1077	1065	181.68
4	E	2880	2847	73.88
4	E	2880	2847	73.90
5	E	1522	1505	0.37
5	E	1522	1505	0.37
6	E	1192	1179	46.64
6	E	1192	1179	46.64

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.510
O2	0.000	0.000	0.805
H3	0.000	0.958	-0.957
H4	0.829	-0.479	-0.957
H5	-0.829	-0.479	-0.957

	N1	O2	H3	H4	H5
N1		1.3155	1.0566	1.0566	1.0566
O2	1.3155		2.0054	2.0054	2.0054
H3	1.0566	2.0054		1.6587	1.6587
H4	1.0566	2.0054	1.6587		1.6587
H5	1.0566	2.0054	1.6587	1.6587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	114.992	O2	N1	H4	114.992
O2	N1	H5	114.992	H3	N1	H4	103.429
H3	N1	H5	103.429	H4	N1	H5	103.429

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

using model chemistry: LSDA/TZVP

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	-0.180
2	O	-0.521
3	H	0.234
4	H	0.234
5	H	0.234

	x	y	z	Total
	0.000	0.000	-5.151	5.151
CHELPG
AIM
ESP

<r²>	20.187
(<r²>)^1/2	4.493

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

using model chemistry: LSDA/TZVP

States and conformations

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