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	hartrees
Energy at 0K	-131.591452
Energy at 298.15K	-131.595704
HF Energy	-131.591452
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2886	2830	275.41
2	A₁	1647	1615	10.87
3	A₁	1055	1035	163.63
4	E	2745	2691	183.19
4	E	2745	2691	183.26
5	E	1631	1599	0.55
5	E	1631	1599	0.55
6	E	1216	1192	50.42
6	E	1216	1192	50.40

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.512
O2	0.000	0.000	0.811
H3	0.000	0.958	-0.968
H4	0.830	-0.479	-0.968
H5	-0.830	-0.479	-0.968

	N1	O2	H3	H4	H5
N1		1.3221	1.0616	1.0616	1.0616
O2	1.3221		2.0204	2.0204	2.0204
H3	1.0616	2.0204		1.6601	1.6601
H4	1.0616	2.0204	1.6601		1.6601
H5	1.0616	2.0204	1.6601	1.6601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	114.020	O2	N1	H4	114.020
O2	N1	H5	114.020	H3	N1	H4	104.564
H3	N1	H5	104.564	H4	N1	H5	104.564

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

using model chemistry: B97D3/6-31G*

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	-0.358
2	O	-0.558
3	H	0.305
4	H	0.305
5	H	0.305

	x	y	z	Total
	0.000	0.000	-4.677	4.677
CHELPG
AIM
ESP

	x	y	z
x	1.944	0.000	0.000
y	0.000	1.944	-0.000
z	0.000	-0.000	3.215

<r²>	19.989
(<r²>)^1/2	4.471

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

using model chemistry: B97D3/6-31G*

States and conformations

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