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	hartrees
Energy at 0K	-131.598483
Energy at 298.15K	-131.602710
HF Energy	-131.598483
Nuclear repulsion energy	39.847378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3052	3032	215.68
2	A₁	1505	1496	0.36
3	A₁	984	978	139.61
4	E	3015	2996	21.91
4	E	3015	2996	21.91
5	E	1586	1576	5.29
5	E	1586	1576	5.29
6	E	1145	1138	24.49
6	E	1145	1138	24.49

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.530
O2	0.000	0.000	0.819
H3	0.000	0.959	-0.948
H4	0.831	-0.480	-0.948
H5	-0.831	-0.480	-0.948

	N1	O2	H3	H4	H5
N1		1.3496	1.0464	1.0464	1.0464
O2	1.3496		2.0109	2.0109	2.0109
H3	1.0464	2.0109		1.6619	1.6619
H4	1.0464	2.0109	1.6619		1.6619
H5	1.0464	2.0109	1.6619	1.6619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	113.522	O2	N1	H4	113.522
O2	N1	H5	113.522	H3	N1	H4	105.134
H3	N1	H5	105.134	H4	N1	H5	105.134

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

using model chemistry: PBEPBE/aug-cc-pVTZ

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	0.302
2	O	-0.728
3	H	0.142
4	H	0.142
5	H	0.142

	x	y	z	Total
	0.000	0.000	-4.978	4.978
CHELPG
AIM
ESP

<r²>	20.649
(<r²>)^1/2	4.544

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

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

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