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	hartrees
Energy at 0K	-946.006432
Energy at 298.15K	-946.007407
Nuclear repulsion energy	111.191578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2707	2619	69.26
2	A₁	723	700	27.67
3	A₁	288	279	0.74
4	B₁	785	759	10.29
5	B₂	1089	1054	211.04
6	B₂	881	853	225.30

Atom	y (Å)	z (Å)
B1	0.000	0.702
H2	0.000	1.882
Cl3	1.519	-0.159
Cl4	-1.519	-0.159

	B1	H2	Cl3	Cl4
B1		1.1798	1.7459	1.7459
H2	1.1798		2.5439	2.5439
Cl3	1.7459	2.5439		3.0375
Cl4	1.7459	2.5439	3.0375

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.552		H2	B1	Cl4	119.552
Cl3	B1	Cl4	120.895

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

using model chemistry: B3LYP/aug-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	-0.066
2	H	0.063
3	Cl	0.002
4	Cl	0.002

	x	y	z	Total
	0.000	0.000	0.528	0.528
CHELPG
AIM
ESP

<r²>	105.007
(<r²>)^1/2	10.247

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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