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	hartrees
Energy at 0K	-129.825604
Energy at 298.15K	-129.829787
HF Energy	-129.825604
Nuclear repulsion energy	38.307443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2942	2625	329.40
2	A₁	1798	1605	6.78
3	A₁	1012	903	84.91
4	E	2689	2400	272.62
4	E	2689	2400	272.63
5	E	1741	1553	5.26
5	E	1741	1553	5.26
6	E	1155	1031	33.40
6	E	1155	1031	33.40

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.526
O2	0.000	0.000	0.853
H3	0.000	0.985	-1.049
H4	0.853	-0.493	-1.049
H5	-0.853	-0.493	-1.049

	N1	O2	H3	H4	H5
N1		1.3792	1.1155	1.1155	1.1155
O2	1.3792		2.1423	2.1423	2.1423
H3	1.1155	2.1423		1.7064	1.7064
H4	1.1155	2.1423	1.7064		1.7064
H5	1.1155	2.1423	1.7064	1.7064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	117.967	O2	N1	H4	117.967
O2	N1	H5	117.967	H3	N1	H4	99.794
H3	N1	H5	99.794	H4	N1	H5	99.794

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

using model chemistry: B3LYP/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	-0.178
2	O	-0.308
3	H	0.162
4	H	0.162
5	H	0.162

	x	y	z	Total
	0.000	0.000	-3.790	3.790
CHELPG
AIM
ESP

<r²>	20.505
(<r²>)^1/2	4.528

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

using model chemistry: B3LYP/STO-3G

States and conformations

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