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	hartrees
Energy at 0K	-131.708344
Energy at 298.15K	-131.712569
HF Energy	-131.708344
Nuclear repulsion energy	39.738950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3211	3116	112.80
2	A₁	1501	1457	6.66
3	A₁	970	941	71.96
4	E	3242	3146	0.59
4	E	3242	3146	0.59
5	E	1620	1572	12.77
5	E	1620	1572	12.77
6	E	1141	1108	21.14
6	E	1141	1108	21.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.540
O2	0.000	0.000	0.824
H3	0.000	0.956	-0.937
H4	0.828	-0.478	-0.937
H5	-0.828	-0.478	-0.937

	N1	O2	H3	H4	H5
N1		1.3649	1.0354	1.0354	1.0354
O2	1.3649		2.0046	2.0046	2.0046
H3	1.0354	2.0046		1.6563	1.6563
H4	1.0354	2.0046	1.6563		1.6563
H5	1.0354	2.0046	1.6563	1.6563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	112.543	O2	N1	H4	112.543
O2	N1	H5	112.543	H3	N1	H4	106.232
H3	N1	H5	106.232	H4	N1	H5	106.232

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

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

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	0.518
2	O	-0.775
3	H	0.086
4	H	0.086
5	H	0.086

	x	y	z	Total
	0.000	0.000	-5.286	5.286
CHELPG
AIM
ESP

<r²>	20.653
(<r²>)^1/2	4.545

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

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

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