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	hartrees
Energy at 0K	-131.606702
Energy at 298.15K	-131.610953
HF Energy	-131.606702
Nuclear repulsion energy	40.226584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3150	2990	139.13
2	A₁	1632	1549	0.18
3	A₁	1039	986	94.94
4	E	3132	2973	43.12
4	E	3132	2973	43.11
5	E	1694	1608	3.67
5	E	1694	1608	3.67
6	E	1213	1152	38.51
6	E	1213	1152	38.51

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.521
O2	0.000	0.000	0.812
H3	0.000	0.949	-0.949
H4	0.822	-0.474	-0.949
H5	-0.822	-0.474	-0.949

	N1	O2	H3	H4	H5
N1		1.3331	1.0405	1.0405	1.0405
O2	1.3331		1.9998	1.9998	1.9998
H3	1.0405	1.9998		1.6430	1.6430
H4	1.0405	1.9998	1.6430		1.6430
H5	1.0405	1.9998	1.6430	1.6430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	114.256	O2	N1	H4	114.256
O2	N1	H5	114.256	H3	N1	H4	104.291
H3	N1	H5	104.291	H4	N1	H5	104.291

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

using model chemistry: B1B95/6-31G*

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	-0.405
2	O	-0.608
3	H	0.338
4	H	0.338
5	H	0.338

	x	y	z	Total
	0.000	0.000	-5.113	5.113
CHELPG
AIM
ESP

<r²>	19.807
(<r²>)^1/2	4.451

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

using model chemistry: B1B95/6-31G*

States and conformations

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