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	hartrees
Energy at 0K	-945.973058
Energy at 298.15K	-945.974046
Nuclear repulsion energy	111.218474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2711	2598	67.23
2	A₁	740	709	28.53
3	A₁	290	278	0.93
4	B₁	780	747	9.82
5	B₂	1084	1039	245.73
6	B₂	906	868	179.79

Atom	y (Å)	z (Å)
B1	0.000	0.707
H2	0.000	1.899
Cl3	1.516	-0.160
Cl4	-1.516	-0.160

	B1	H2	Cl3	Cl4
B1		1.1922	1.7462	1.7462
H2	1.1922		2.5570	2.5570
Cl3	1.7462	2.5570		3.0316
Cl4	1.7462	2.5570	3.0316

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.770		H2	B1	Cl4	119.770
Cl3	B1	Cl4	120.460

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

using model chemistry: mPW1PW91/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	-0.171
2	H	0.489
3	Cl	-0.159
4	Cl	-0.159

	x	y	z	Total
	0.000	0.000	0.575	0.575
CHELPG
AIM
ESP

<r²>	104.696
(<r²>)^1/2	10.232

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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