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	hartrees
Energy at 0K	-1405.763812
Energy at 298.15K	-1405.764035
HF Energy	-1405.763812
Nuclear repulsion energy	229.808225

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'	479	458	0.00	8.50	0.07	0.14
2	A₂"	451	431	6.07	0.00	0.75	0.86
3	E'	968	926	393.07	0.09	0.75	0.86
3	E'	968	926	393.08	0.09	0.75	0.86
4	E'	258	247	0.70	3.53	0.75	0.86
4	E'	258	247	0.70	3.53	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.740
Cl3	1.507	-0.870
Cl4	-1.507	-0.870

	B1	Cl2	Cl3	Cl4
B1		1.7398	1.7398	1.7398
Cl2	1.7398		3.0135	3.0135
Cl3	1.7398	3.0135		3.0135
Cl4	1.7398	3.0135	3.0135

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: B1B95/TZVP

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	0.131
2	Cl	-0.044
3	Cl	-0.044
4	Cl	-0.044

<r²>	181.098
(<r²>)^1/2	13.457

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

using model chemistry: B1B95/TZVP

States and conformations

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