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	hartrees
Energy at 0K	-945.471878
Energy at 298.15K	-945.472820
Nuclear repulsion energy	110.975309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2654	2627	64.84
2	A₁	719	711	25.77
3	A₁	281	279	0.75
4	B₁	756	748	9.96
5	B₂	1055	1044	219.01
6	B₂	882	873	173.22

Atom	y (Å)	z (Å)
B1	0.000	0.705
H2	0.000	1.900
Cl3	1.520	-0.160
Cl4	-1.520	-0.160

	B1	H2	Cl3	Cl4
B1		1.1943	1.7491	1.7491
H2	1.1943		2.5597	2.5597
Cl3	1.7491	2.5597		3.0405
Cl4	1.7491	2.5597	3.0405

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.639		H2	B1	Cl4	119.639
Cl3	B1	Cl4	120.723

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.165
2	H	0.027
3	Cl	-0.096
4	Cl	-0.096

	x	y	z	Total
	0.000	0.000	0.416	0.416
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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