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	hartrees
Energy at 0K	-1405.562640
Energy at 298.15K	-1405.562836
HF Energy	-1405.562640
Nuclear repulsion energy	228.133158

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'	472	452	0.00	8.17	0.10	0.18
2	A₂"	453	434	8.85	0.00	0.75	0.86
3	E'	950	910	378.11	0.02	0.75	0.86
3	E'	950	910	378.14	0.02	0.75	0.86
4	E'	260	249	0.83	4.85	0.75	0.86
4	E'	260	249	0.83	4.85	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		3.0356	3.0356
Cl3	1.7526	3.0356		3.0356
Cl4	1.7526	3.0356	3.0356

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/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	0.097
2	Cl	-0.032
3	Cl	-0.032
4	Cl	-0.032

<r²>	183.466
(<r²>)^1/2	13.545

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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