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	hartrees
Energy at 0K	-1405.648955
Energy at 298.15K	-1405.649149
HF Energy	-1405.648955
Nuclear repulsion energy	228.137509

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	450	0.00	8.97	0.08	0.14
2	A₂"	449	433	6.43	0.00	0.75	0.86
3	E'	935	901	379.94	0.16	0.75	0.86
3	E'	935	901	379.98	0.16	0.75	0.86
4	E'	257	247	0.63	3.62	0.75	0.86
4	E'	257	247	0.63	3.62	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.753
Cl3	1.518	-0.876
Cl4	-1.518	-0.876

	B1	Cl2	Cl3	Cl4
B1		1.7526	1.7526	1.7526
Cl2	1.7526		3.0355	3.0355
Cl3	1.7526	3.0355		3.0355
Cl4	1.7526	3.0355	3.0355

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: B3LYPultrafine/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	0.146
2	Cl	-0.049
3	Cl	-0.049
4	Cl	-0.049

<r²>	183.665
(<r²>)^1/2	13.552

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

using model chemistry: B3LYPultrafine/TZVP

States and conformations

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