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	hartrees
Energy at 0K	-131.674113
Energy at 298.15K	-131.678355
HF Energy	-131.674113
Nuclear repulsion energy	40.258820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3228	3089	107.67
2	A₁	1558	1491	2.65
3	A₁	1006	963	76.31
4	E	3235	3096	4.65
4	E	3235	3096	4.66
5	E	1658	1587	9.79
5	E	1658	1587	9.79
6	E	1176	1126	21.11
6	E	1176	1126	21.11

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.527
O2	0.000	0.000	0.813
H3	0.000	0.945	-0.937
H4	0.819	-0.473	-0.937
H5	-0.819	-0.473	-0.937

	N1	O2	H3	H4	H5
N1		1.3398	1.0304	1.0304	1.0304
O2	1.3398		1.9889	1.9889	1.9889
H3	1.0304	1.9889		1.6372	1.6372
H4	1.0304	1.9889	1.6372		1.6372
H5	1.0304	1.9889	1.6372	1.6372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	113.453	O2	N1	H4	113.453
O2	N1	H5	113.453	H3	N1	H4	105.212
H3	N1	H5	105.212	H4	N1	H5	105.212

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

using model chemistry: B1B95/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	0.178
2	O	-0.592
3	H	0.138
4	H	0.138
5	H	0.138

	x	y	z	Total
	0.000	0.000	-5.127	5.127
CHELPG
AIM
ESP

<r²>	19.884
(<r²>)^1/2	4.459

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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