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	hartrees
Energy at 0K	-945.807440
Energy at 298.15K	-945.808417
Nuclear repulsion energy	111.395797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2712	2607	71.01
2	A₁	734	706	30.15
3	A₁	288	277	0.93
4	B₁	783	752	13.66
5	B₂	1090	1048	231.73
6	B₂	900	866	194.74

Atom	y (Å)	z (Å)
B1	0.000	0.703
H2	0.000	1.890
Cl3	1.515	-0.159
Cl4	-1.515	-0.159

	B1	H2	Cl3	Cl4
B1		1.1865	1.7429	1.7429
H2	1.1865		2.5480	2.5480
Cl3	1.7429	2.5480		3.0290
Cl4	1.7429	2.5480	3.0290

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.661		H2	B1	Cl4	119.661
Cl3	B1	Cl4	120.678

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

using model chemistry: B3PW91/6-31G(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	0.191
2	H	0.030
3	Cl	-0.111
4	Cl	-0.111

	x	y	z	Total
	0.000	0.000	0.512	0.512
CHELPG
AIM
ESP

<r²>	104.170
(<r²>)^1/2	10.206

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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