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	hartrees
Energy at 0K	-1403.254335
Energy at 298.15K	-1403.254651
HF Energy	-1403.254335
Nuclear repulsion energy	229.081188

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'	498	450	0.00	5.67	0.10	0.18
2	A₂"	484	437	22.10	0.00	0.00	0.00
3	E'	1011	913	438.90	0.00	0.75	0.86
3	E'	1011	913	438.90	0.00	0.75	0.86
4	E'	276	249	1.51	3.76	0.75	0.86
4	E'	276	249	1.51	3.76	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.745
Cl3	1.512	-0.873
Cl4	-1.512	-0.873

	B1	Cl2	Cl3	Cl4
B1		1.7453	1.7453	1.7453
Cl2	1.7453		3.0230	3.0230
Cl3	1.7453	3.0230		3.0230
Cl4	1.7453	3.0230	3.0230

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: HF/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	0.276
2	Cl	-0.092
3	Cl	-0.092
4	Cl	-0.092

<r²>	182.863
(<r²>)^1/2	13.523

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

using model chemistry: HF/6-31G**

States and conformations

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