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	hartrees
Energy at 0K	-945.966755
Energy at 298.15K	-945.967750
Nuclear repulsion energy	111.239993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2719	2606	90.11
2	A₁	748	717	36.93
3	A₁	293	280	1.07
4	B₁	783	751	14.38
5	B₂	1091	1046	279.74
6	B₂	915	877	172.30

Atom	y (Å)	z (Å)
B1	0.000	0.707
H2	0.000	1.902
Cl3	1.515	-0.160
Cl4	-1.515	-0.160

	B1	H2	Cl3	Cl4
B1		1.1958	1.7456	1.7456
H2	1.1958		2.5592	2.5592
Cl3	1.7456	2.5592		3.0306
Cl4	1.7456	2.5592	3.0306

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.765		H2	B1	Cl4	119.765
Cl3	B1	Cl4	120.471

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

using model chemistry: mPW1PW91/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	0.088
2	H	0.025
3	Cl	-0.056
4	Cl	-0.056

	x	y	z	Total
	0.000	0.000	0.514	0.514
CHELPG
AIM
ESP

<r²>	104.401
(<r²>)^1/2	10.218

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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