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	hartrees
Energy at 0K	-1405.456114
Energy at 298.15K	-1405.456336
HF Energy	-1405.456114
Nuclear repulsion energy	229.344331

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'	488	462	0.00	7.30	0.09	0.17
2	A₂"	448	425	10.50	0.00	0.75	0.86
3	E'	987	934	408.70	0.03	0.75	0.86
3	E'	987	934	408.90	0.02	0.74	0.85
4	E'	261	247	1.04	4.63	0.75	0.86
4	E'	261	247	1.05	4.65	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.743
Cl3	1.510	-0.872
Cl4	-1.510	-0.872

	B1	Cl2	Cl3	Cl4
B1		1.7433	1.7433	1.7433
Cl2	1.7433		3.0196	3.0196
Cl3	1.7433	3.0196		3.0196
Cl4	1.7433	3.0196	3.0196

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: M06-2X/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	0.102
2	Cl	-0.034
3	Cl	-0.034
4	Cl	-0.034

<r²>	181.915
(<r²>)^1/2	13.488

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

using model chemistry: M06-2X/6-31G*

States and conformations

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