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	hartrees
Energy at 0K	-943.475599
Energy at 298.15K	-943.476564
Nuclear repulsion energy	111.784056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2635	2606	72.15
2	A₁	747	739	28.18
3	A₁	287	284	0.72
4	B₁	745	737	7.07
5	B₂	1052	1040	289.25
6	B₂	900	891	94.00

Atom	y (Å)	z (Å)
B1	0.000	0.706
H2	0.000	1.914
Cl3	1.506	-0.160
Cl4	-1.506	-0.160

	B1	H2	Cl3	Cl4
B1		1.2081	1.7369	1.7369
H2	1.2081		2.5627	2.5627
Cl3	1.7369	2.5627		3.0117
Cl4	1.7369	2.5627	3.0117

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.890		H2	B1	Cl4	119.890
Cl3	B1	Cl4	120.219

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

using model chemistry: LSDA/cc-pVDZ

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	-0.067
2	H	0.051
3	Cl	0.008
4	Cl	0.008

	x	y	z	Total
	0.000	0.000	0.305	0.305
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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