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	hartrees
Energy at 0K	-1405.719225
Energy at 298.15K	-1405.719372
HF Energy	-1405.719225
Nuclear repulsion energy	228.157332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	455	455	0.00	13.35	0.03	0.06
2	A₂"	442	442	3.94	0.00	0.75	0.86
3	E'	907	907	339.95	1.66	0.75	0.86
3	E'	907	907	340.08	1.63	0.75	0.86
4	E'	250	250	0.53	1.51	0.75	0.86
4	E'	250	250	0.53	1.52	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.752
Cl3	1.518	-0.876
Cl4	-1.518	-0.876

	B1	Cl2	Cl3	Cl4
B1		1.7524	1.7524	1.7524
Cl2	1.7524		3.0353	3.0353
Cl3	1.7524	3.0353		3.0353
Cl4	1.7524	3.0353	3.0353

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	Cl3	120.000		Cl2	B1	Cl4	120.000
Cl3	B1	Cl4	120.000

All results from a given calculation for BCl₃ (Borane, trichloro-)

using model chemistry: B97D3/aug-cc-pVQZ

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	0.087
2	Cl	-0.029
3	Cl	-0.029
4	Cl	-0.029

<r²>	183.312
(<r²>)^1/2	13.539

All results from a given calculation for BCl3 (Borane, trichloro-)

using model chemistry: B97D3/aug-cc-pVQZ

States and conformations

All results from a given calculation for BCl₃ (Borane, trichloro-)