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	hartrees
Energy at 0K	-946.005323
Energy at 298.15K	-946.006303
HF Energy	-946.005323
Nuclear repulsion energy	111.225659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2707	2617	77.57
2	A₁	726	702	29.29
3	A₁	289	280	0.79
4	B₁	786	760	12.19
5	B₂	1095	1058	213.07
6	B₂	887	857	219.25

Atom	y (Å)	z (Å)
B1	0.000	0.702
H2	0.000	1.882
Cl3	1.518	-0.159
Cl4	-1.518	-0.159

	B1	H2	Cl3	Cl4
B1		1.1799	1.7451	1.7451
H2	1.1799		2.5431	2.5431
Cl3	1.7451	2.5431		3.0368
Cl4	1.7451	2.5431	3.0368

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.531		H2	B1	Cl4	119.531
Cl3	B1	Cl4	120.939

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

using model chemistry: B3LYPultrafine/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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Number	Element	Mulliken
1	B	0.108
2	H	0.033
3	Cl	-0.070
4	Cl	-0.070

	x	y	z	Total
	0.000	0.000	0.487	0.487
CHELPG
AIM
ESP

	x	y	z
x	3.907	0.000	0.000
y	0.000	7.573	-0.004
z	0.000	-0.004	5.047

<r²>	104.847
(<r²>)^1/2	10.240

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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