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	hartrees
Energy at 0K	-945.466192
Energy at 298.15K	-945.467142
HF Energy	-945.466192
Nuclear repulsion energy	110.752347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2673	2628	76.06
2	A₁	724	712	29.74
3	A₁	290	285	0.86
4	B₁	755	743	10.53
5	B₂	1080	1062	211.25
6	B₂	891	876	194.08

Atom	y (Å)	z (Å)
B1	0.000	0.702
H2	0.000	1.898
Cl3	1.525	-0.159
Cl4	-1.525	-0.159

	B1	H2	Cl3	Cl4
B1		1.1963	1.7513	1.7513
H2	1.1963		2.5610	2.5610
Cl3	1.7513	2.5610		3.0497
Cl4	1.7513	2.5610	3.0497

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.457		H2	B1	Cl4	119.457
Cl3	B1	Cl4	121.086

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

using model chemistry: PBEPBEultrafine/6-31G*

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	0.006
2	H	0.071
3	Cl	-0.039
4	Cl	-0.039

	x	y	z	Total
	0.000	0.000	0.463	0.463
CHELPG
AIM
ESP

	x	y	z
x	2.575	0.000	0.000
y	0.000	7.328	-0.005
z	0.000	-0.005	4.224

<r²>	105.423
(<r²>)^1/2	10.268

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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