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	hartrees
Energy at 0K	-131.732051
Energy at 298.15K	-131.736268
HF Energy	-131.732051
Nuclear repulsion energy	39.708042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3190	3080	107.26
2	A₁	1571	1517	0.14
3	A₁	911	880	66.53
4	E	3191	3081	8.91
4	E	3191	3081	8.91
5	E	1625	1569	6.99
5	E	1625	1569	6.99
6	E	1158	1118	35.80
6	E	1158	1118	35.80

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.539
O2	0.000	0.000	0.827
H3	0.000	0.950	-0.949
H4	0.823	-0.475	-0.949
H5	-0.823	-0.475	-0.949

	N1	O2	H3	H4	H5
N1		1.3660	1.0344	1.0344	1.0344
O2	1.3660		2.0138	2.0138	2.0138
H3	1.0344	2.0138		1.6452	1.6452
H4	1.0344	2.0138	1.6452		1.6452
H5	1.0344	2.0138	1.6452	1.6452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	113.334	O2	N1	H4	113.334
O2	N1	H5	113.334	H3	N1	H4	105.347
H3	N1	H5	105.347	H4	N1	H5	105.347

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

using model chemistry: B3LYP/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	-0.101
2	O	-0.568
3	H	0.223
4	H	0.223
5	H	0.223

	x	y	z	Total
	0.000	0.000	-5.496	5.496
CHELPG
AIM
ESP

<r²>	20.461
(<r²>)^1/2	4.523

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

using model chemistry: B3LYP/TZVP

States and conformations

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