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	hartrees
Energy at 0K	-131.621712
Energy at 298.15K	-131.625961
HF Energy	-131.621712
Nuclear repulsion energy	40.166374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3118	2988	165.01
2	A₁	1604	1538	0.65
3	A₁	1041	997	108.33
4	E	3082	2954	56.77
4	E	3082	2954	56.76
5	E	1650	1582	2.20
5	E	1650	1582	2.20
6	E	1200	1150	40.32
6	E	1200	1150	40.32

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-0.520
O2	0.000	0.000	0.813
H3	0.000	0.949	-0.955
H4	0.822	-0.474	-0.955
H5	-0.822	-0.474	-0.955

	N1	O2	H3	H4	H5
N1		1.3336	1.0434	1.0434	1.0434
O2	1.3336		2.0065	2.0065	2.0065
H3	1.0434	2.0065		1.6432	1.6432
H4	1.0434	2.0065	1.6432		1.6432
H5	1.0434	2.0065	1.6432	1.6432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	H3	114.603	O2	N1	H4	114.603
O2	N1	H5	114.603	H3	N1	H4	103.887
H3	N1	H5	103.887	H4	N1	H5	103.887

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

using model chemistry: B3PW91/6-31G**

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	-0.218
2	O	-0.623
3	H	0.281
4	H	0.281
5	H	0.281

	x	y	z	Total
	0.000	0.000	-5.068	5.068
CHELPG
AIM
ESP

<r²>	19.869
(<r²>)^1/2	4.457

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

using model chemistry: B3PW91/6-31G**

States and conformations

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