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	hartrees
Energy at 0K	-941.548779
Energy at 298.15K	-941.549772
HF Energy	-941.548779
Nuclear repulsion energy	110.982472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2748	2605	71.87
2	A₁	733	695	37.08
3	A₁	299	283	1.43
4	B₁	780	740	17.58
5	B₂	1126	1067	180.82
6	B₂	919	871	219.66

Atom	y (Å)	z (Å)
B1	0.000	0.699
H2	0.000	1.885
Cl3	1.523	-0.158
Cl4	-1.523	-0.158

	B1	H2	Cl3	Cl4
B1		1.1862	1.7474	1.7474
H2	1.1862		2.5483	2.5483
Cl3	1.7474	2.5483		3.0455
Cl4	1.7474	2.5483	3.0455

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.373		H2	B1	Cl4	119.373
Cl3	B1	Cl4	121.254

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

using model chemistry: wB97X-D/3-21G*

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	0.228
2	H	0.084
3	Cl	-0.156
4	Cl	-0.156

	x	y	z	Total
	0.000	0.000	0.667	0.667
CHELPG
AIM
ESP

<r²>	105.657
(<r²>)^1/2	10.279

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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