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	hartrees
Energy at 0K	-1404.879518
Energy at 298.15K	-1404.879681
HF Energy	-1404.815935
Nuclear repulsion energy	223.735391

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'	446	446	0.00	11.19	0.12	0.22
2	A₂"	448	448	12.89	0.00	0.75	0.86
3	E'	916	916	350.02	0.01	0.75	0.86
3	E'	916	916	350.00	0.01	0.75	0.86
4	E'	260	260	1.51	7.58	0.75	0.86
4	E'	260	260	1.51	7.58	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.787
Cl3	1.548	-0.894
Cl4	-1.548	-0.894

	B1	Cl2	Cl3	Cl4
B1		1.7871	1.7871	1.7871
Cl2	1.7871		3.0953	3.0953
Cl3	1.7871	3.0953		3.0953
Cl4	1.7871	3.0953	3.0953

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: B2PLYP/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	-0.029
2	Cl	0.010
3	Cl	0.010
4	Cl	0.010

<r²>	190.855
(<r²>)^1/2	13.815

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

using model chemistry: B2PLYP/6-31G

States and conformations

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