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	hartrees
Energy at 0K	-1405.049093
Energy at 298.15K	-1405.049337
HF Energy	-1404.893381
Nuclear repulsion energy	228.989072

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'	482	482	0.00	8.33	0.10	0.18
2	A₂"	463	463	9.49	0.00	0.75	0.86
3	E'	976	976	386.54	0.00	0.75	0.86
3	E'	976	976	386.57	0.00	0.75	0.86
4	E'	265	265	0.93	4.83	0.75	0.86
4	E'	265	265	0.93	4.83	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		1.7461	1.7461	1.7461
Cl2	1.7461		3.0242	3.0242
Cl3	1.7461	3.0242		3.0242
Cl4	1.7461	3.0242	3.0242

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	0.116
2	Cl	-0.039
3	Cl	-0.039
4	Cl	-0.039

<r²>	182.443
(<r²>)^1/2	13.507

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-)