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	hartrees
Energy at 0K	-1405.641696
Energy at 298.15K	-1405.641875
HF Energy	-1405.641696
Nuclear repulsion energy	227.916265

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'	467	467	0.00	13.18	0.03	0.06
2	A₂"	442	442	4.38	0.00	0.75	0.86
3	E'	947	947	346.66	1.29	0.75	0.86
3	E'	947	947	346.65	1.29	0.75	0.86
4	E'	249	249	0.76	1.51	0.75	0.86
4	E'	249	249	0.76	1.52	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.754
Cl3	1.519	-0.877
Cl4	-1.519	-0.877

	B1	Cl2	Cl3	Cl4
B1		1.7543	1.7543	1.7543
Cl2	1.7543		3.0385	3.0385
Cl3	1.7543	3.0385		3.0385
Cl4	1.7543	3.0385	3.0385

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: TPSSh/daug-cc-pVDZ

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	0.440
2	Cl	-0.147
3	Cl	-0.147
4	Cl	-0.147

<r²>	183.750
(<r²>)^1/2	13.555

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

using model chemistry: TPSSh/daug-cc-pVDZ

States and conformations

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