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	hartrees
Energy at 0K	-945.551563
Energy at 298.15K	-945.552508
Nuclear repulsion energy	111.130321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2637	2620	65.28
2	A₁	716	712	23.64
3	A₁	282	280	0.60
4	B₁	752	747	6.86
5	B₂	1049	1043	218.43
6	B₂	875	869	181.56

Atom	y (Å)	z (Å)
B1	0.000	0.704
H2	0.000	1.895
Cl3	1.518	-0.159
Cl4	-1.518	-0.159

	B1	H2	Cl3	Cl4
B1		1.1915	1.7465	1.7465
H2	1.1915		2.5546	2.5546
Cl3	1.7465	2.5546		3.0369
Cl4	1.7465	2.5546	3.0369

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.607		H2	B1	Cl4	119.607
Cl3	B1	Cl4	120.786

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

using model chemistry: PBEPBE/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	-0.129
2	H	0.058
3	Cl	0.036
4	Cl	0.036

	x	y	z	Total
	0.000	0.000	0.415	0.415
CHELPG
AIM
ESP

<r²>	104.950
(<r²>)^1/2	10.245

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

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

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