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	hartrees
Energy at 0K	-1405.427720
Energy at 298.15K	-1405.427798
HF Energy	-1405.427720
Nuclear repulsion energy	222.094652

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'	428	425	0.00	12.01	0.12	0.22
2	A₂"	426	423	7.83	0.00	0.75	0.86
3	E'	874	867	329.81	0.12	0.75	0.86
3	E'	874	867	329.76	0.12	0.75	0.86
4	E'	249	247	1.10	7.89	0.75	0.86
4	E'	249	247	1.10	7.89	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.800
Cl3	1.559	-0.900
Cl4	-1.559	-0.900

	B1	Cl2	Cl3	Cl4
B1		1.8003	1.8003	1.8003
Cl2	1.8003		3.1181	3.1181
Cl3	1.8003	3.1181		3.1181
Cl4	1.8003	3.1181	3.1181

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: BLYP/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	-0.105
2	Cl	0.035
3	Cl	0.035
4	Cl	0.035

<r²>	192.817
(<r²>)^1/2	13.886

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

using model chemistry: BLYP/6-31G

States and conformations

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