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	hartrees
Energy at 0K	-945.539003
Energy at 298.15K	-945.539946
HF Energy	-945.539003
Nuclear repulsion energy	111.256711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2636	2604	71.47
2	A₁	718	710	23.49
3	A₁	283	280	0.54
4	B₁	753	743	7.60
5	B₂	1052	1039	219.26
6	B₂	878	867	169.99

Atom	y (Å)	z (Å)
B1	0.000	0.703
H2	0.000	1.895
Cl3	1.517	-0.159
Cl4	-1.517	-0.159

	B1	H2	Cl3	Cl4
B1		1.1919	1.7444	1.7444
H2	1.1919		2.5532	2.5532
Cl3	1.7444	2.5532		3.0331
Cl4	1.7444	2.5532	3.0331

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.615		H2	B1	Cl4	119.615
Cl3	B1	Cl4	120.770

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

using model chemistry: PBEPBE/Def2TZVPP

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	0.160
2	H	0.022
3	Cl	-0.091
4	Cl	-0.091

	x	y	z	Total
	0.000	0.000	0.353	0.353
CHELPG
AIM
ESP

<r²>	104.582
(<r²>)^1/2	10.227

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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