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	hartrees
Energy at 0K	-131.605303
Energy at 298.15K	-131.609538
HF Energy	-131.605303
Nuclear repulsion energy	39.910836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3233	3072	66.67
2	A₁	1558	1480	3.34
3	A₁	1004	954	48.89
4	E	3270	3107	5.30
4	E	3270	3107	5.36
5	E	1667	1584	9.22
5	E	1667	1584	9.27
6	E	1165	1107	32.99
6	E	1165	1107	32.99

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.534
O2	0.000	0.000	0.821
H3	0.000	0.949	-0.945
H4	0.822	-0.475	-0.945
H5	-0.822	-0.475	-0.945

	N1	O2	H3	H4	H5
N1		1.3550	1.0346	1.0346	1.0346
O2	1.3550		2.0050	2.0050	2.0050
H3	1.0346	2.0050		1.6446	1.6446
H4	1.0346	2.0050	1.6446		1.6446
H5	1.0346	2.0050	1.6446	1.6446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	113.400	O2	N1	H4	113.400
O2	N1	H5	113.400	H3	N1	H4	105.273
H3	N1	H5	105.273	H4	N1	H5	105.273

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

using model chemistry: M06-2X/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	-0.260
2	O	-0.644
3	H	0.301
4	H	0.301
5	H	0.301

	x	y	z	Total
	0.000	0.000	-5.335	5.335
CHELPG
AIM
ESP

<r²>	19.985
(<r²>)^1/2	4.470

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

using model chemistry: M06-2X/6-31G**

States and conformations

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