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	hartrees
Energy at 0K	-131.565219
Energy at 298.15K	-131.569469
HF Energy	-131.565219
Nuclear repulsion energy	40.254413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3191	3061	126.81
2	A₁	1615	1549	0.08
3	A₁	1019	978	93.55
4	E	3171	3042	19.17
4	E	3171	3042	19.18
5	E	1629	1563	4.91
5	E	1629	1563	4.91
6	E	1208	1159	29.79
6	E	1208	1159	29.79

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.522
O2	0.000	0.000	0.812
H3	0.000	0.945	-0.948
H4	0.819	-0.473	-0.948
H5	-0.819	-0.473	-0.948

	N1	O2	H3	H4	H5
N1		1.3339	1.0372	1.0372	1.0372
O2	1.3339		1.9983	1.9983	1.9983
H3	1.0372	1.9983		1.6375	1.6375
H4	1.0372	1.9983	1.6375		1.6375
H5	1.0372	1.9983	1.6375	1.6375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	114.284	O2	N1	H4	114.284
O2	N1	H5	114.284	H3	N1	H4	104.258
H3	N1	H5	104.258	H4	N1	H5	104.258

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

using model chemistry: PBE1PBE/6-311G**

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	-0.054
2	O	-0.573
3	H	0.209
4	H	0.209
5	H	0.209

	x	y	z	Total
	0.000	0.000	-5.192	5.192
CHELPG
AIM
ESP

<r²>	19.858
(<r²>)^1/2	4.456

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

using model chemistry: PBE1PBE/6-311G**

States and conformations

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