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	hartrees
Energy at 0K	-946.012581
Energy at 298.15K	-946.013522
HF Energy	-946.012581
Nuclear repulsion energy	110.853281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2648	2608	76.61
2	A₁	704	694	26.77
3	A₁	282	278	0.64
4	B₁	761	750	8.78
5	B₂	1056	1040	200.29
6	B₂	858	845	226.43

Atom	y (Å)	z (Å)
B1	0.000	0.705
H2	0.000	1.893
Cl3	1.523	-0.159
Cl4	-1.523	-0.159

	B1	H2	Cl3	Cl4
B1		1.1882	1.7509	1.7509
H2	1.1882		2.5555	2.5555
Cl3	1.7509	2.5555		3.0460
Cl4	1.7509	2.5555	3.0460

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.561		H2	B1	Cl4	119.561
Cl3	B1	Cl4	120.879

All results from a given calculation for BHCl₂ (Borane, dichloro-)

using model chemistry: B97D3/aug-cc-pVTZ

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	B	-0.095
2	H	0.068
3	Cl	0.014
4	Cl	0.014

	x	y	z	Total
	0.000	0.000	0.476	0.476
CHELPG
AIM
ESP

<r²>	105.352
(<r²>)^1/2	10.264

All results from a given calculation for BHCl2 (Borane, dichloro-)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for BHCl₂ (Borane, dichloro-)