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	hartrees
Energy at 0K	-1405.666320
Energy at 298.15K	-1405.666504
HF Energy	-1405.666320
Nuclear repulsion energy	228.923394

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'	468	450	0.00	8.93	0.05	0.10
2	A₂"	453	436	4.81	0.00	0.75	0.86
3	E'	935	900	344.85	0.55	0.75	0.86
3	E'	935	900	344.88	0.55	0.75	0.86
4	E'	253	244	0.60	2.14	0.75	0.86
4	E'	253	244	0.60	2.15	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.747
Cl3	1.513	-0.873
Cl4	-1.513	-0.873

	B1	Cl2	Cl3	Cl4
B1		1.7466	1.7466	1.7466
Cl2	1.7466		3.0251	3.0251
Cl3	1.7466	3.0251		3.0251
Cl4	1.7466	3.0251	3.0251

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: B3LYP/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	0.285
2	Cl	-0.095
3	Cl	-0.095
4	Cl	-0.095

<r²>	182.332
(<r²>)^1/2	13.503

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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