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	hartrees
Energy at 0K	-1405.493071
Energy at 298.15K	-1405.493201
HF Energy	-1405.493071
Nuclear repulsion energy	226.343935

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'	454	450	0.00	9.79	0.10	0.18
2	A₂"	439	435	6.40	0.00	0.75	0.86
3	E'	910	903	354.10	0.15	0.75	0.86
3	E'	910	903	354.13	0.15	0.75	0.86
4	E'	252	250	0.66	5.38	0.75	0.86
4	E'	252	250	0.66	5.38	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.766
Cl3	1.530	-0.883
Cl4	-1.530	-0.883

	B1	Cl2	Cl3	Cl4
B1		1.7665	1.7665	1.7665
Cl2	1.7665		3.0596	3.0596
Cl3	1.7665	3.0596		3.0596
Cl4	1.7665	3.0596	3.0596

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: BLYP/6-31G*

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	0.068
2	Cl	-0.023
3	Cl	-0.023
4	Cl	-0.023

<r²>	185.890
(<r²>)^1/2	13.634

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

using model chemistry: BLYP/6-31G*

States and conformations

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