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	hartrees
Energy at 0K	-100.658184
Energy at 298.15K	-100.654682
HF Energy	-100.711565
Nuclear repulsion energy	21.602604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2930	2813	10.72
2	Σ	1875	1801	53.92
3	Π	769	739	12.30
3	Π	769	739	12.32

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.605
H2	0.000	0.000	-1.778
O3	0.000	0.000	0.600

	B1	H2	O3
B1		1.1729	1.2051
H2	1.1729		2.3780
O3	1.2051	2.3780

Number	Element	Mulliken
1	B	0.228
2	H	0.059
3	O	-0.287

All results from a given calculation for HBO (Boron hydride oxide)

using model chemistry: G3B3

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
You are here: Calculated > Energy > Optimized > Energy

	z	Total
	-2.471	2.471
CHELPG	-2.486	2.486
AIM	1.153	1.153
ESP	-2.481	2.481

<r²>	14.501
(<r²>)^1/2	3.808