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	hartrees
Energy at 0K	-131.682941
Energy at 298.15K	-131.687156
HF Energy	-131.682941
Nuclear repulsion energy	39.616359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2937	2926	240.00
2	A₁	1579	1572	7.02
3	A₁	917	914	138.22
4	E	2810	2799	105.48
4	E	2810	2799	105.49
5	E	1561	1555	0.40
5	E	1561	1555	0.40
6	E	1159	1155	40.28
6	E	1159	1155	40.28

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.527
O2	0.000	0.000	0.826
H3	0.000	0.958	-0.973
H4	0.829	-0.479	-0.973
H5	-0.829	-0.479	-0.973

	N1	O2	H3	H4	H5
N1		1.3529	1.0562	1.0562	1.0562
O2	1.3529		2.0375	2.0375	2.0375
H3	1.0562	2.0375		1.6586	1.6586
H4	1.0562	2.0375	1.6586		1.6586
H5	1.0562	2.0375	1.6586	1.6586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	114.954	O2	N1	H4	114.954
O2	N1	H5	114.954	H3	N1	H4	103.475
H3	N1	H5	103.475	H4	N1	H5	103.475

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

using model chemistry: BLYP/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	-0.066
2	O	-0.517
3	H	0.194
4	H	0.194
5	H	0.194

	x	y	z	Total
	0.000	0.000	-4.858	4.858
CHELPG
AIM
ESP

	x	y	z
x	1.882	0.000	0.000
y	0.000	1.882	-0.000
z	0.000	-0.000	3.409

<r²>	20.425
(<r²>)^1/2	4.519

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

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

States and conformations

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