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	hartrees
Energy at 0K	-945.913031
Energy at 298.15K	-945.913961
Nuclear repulsion energy	109.883490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2640	2635	66.06
2	A₁	701	699	24.39
3	A₁	280	279	0.68
4	B₁	754	752	7.29
5	B₂	1044	1042	195.91
6	B₂	854	852	211.71

Atom	y (Å)	z (Å)
B1	0.000	0.713
H2	0.000	1.910
Cl3	1.536	-0.161
Cl4	-1.536	-0.161

	B1	H2	Cl3	Cl4
B1		1.1964	1.7673	1.7673
H2	1.1964		2.5782	2.5782
Cl3	1.7673	2.5782		3.0716
Cl4	1.7673	2.5782	3.0716

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.656		H2	B1	Cl4	119.656
Cl3	B1	Cl4	120.688

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

using model chemistry: BLYP/aug-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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Number	Element	Mulliken
1	B	-0.721
2	H	0.835
3	Cl	-0.057
4	Cl	-0.057

	x	y	z	Total
	0.000	0.000	0.506	0.506
CHELPG
AIM
ESP

<r²>	107.144
(<r²>)^1/2	10.351

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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