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	hartrees
Energy at 0K	-945.878830
Energy at 298.15K	-945.879831
HF Energy	-945.878830
Nuclear repulsion energy	111.174854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2711	2583	88.59
2	A₁	745	710	37.61
3	A₁	297	283	1.19
4	B₁	777	740	15.75
5	B₂	1114	1061	251.88
6	B₂	913	870	221.33

Atom	y (Å)	z (Å)
B1	0.000	0.703
H2	0.000	1.889
Cl3	1.518	-0.159
Cl4	-1.518	-0.159

	B1	H2	Cl3	Cl4
B1		1.1860	1.7460	1.7460
H2	1.1860		2.5495	2.5495
Cl3	1.7460	2.5495		3.0366
Cl4	1.7460	2.5495	3.0366

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.587		H2	B1	Cl4	119.587
Cl3	B1	Cl4	120.825

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

using model chemistry: wB97X-D/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	0.032
2	H	0.041
3	Cl	-0.037
4	Cl	-0.037

	x	y	z	Total
	0.000	0.000	0.688	0.688
CHELPG
AIM
ESP

<r²>	105.005
(<r²>)^1/2	10.247

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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