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	hartrees
Energy at 0K	-1405.053550
Energy at 298.15K	-1405.053791
HF Energy	-1404.896133
Nuclear repulsion energy	228.942025

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'	481	458	0.00	9.93	0.07	0.13
2	A₂"	462	440	7.29	0.00	0.00	0.00
3	E'	968	922	395.86	0.23	0.75	0.86
3	E'	968	922	395.89	0.23	0.75	0.86
4	E'	264	252	0.77	3.59	0.75	0.86
4	E'	264	252	0.77	3.59	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.746
Cl3	1.512	-0.873
Cl4	-1.512	-0.873

	B1	Cl2	Cl3	Cl4
B1		1.7464	1.7464	1.7464
Cl2	1.7464		3.0249	3.0249
Cl3	1.7464	3.0249		3.0249
Cl4	1.7464	3.0249	3.0249

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/6-31+G**

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	-0.023
2	Cl	0.008
3	Cl	0.008
4	Cl	0.008

<r²>	182.826
(<r²>)^1/2	13.521

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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