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	hartrees
Energy at 0K	-1399.177553
Energy at 298.15K	-1399.177712
HF Energy	-1399.177553
Nuclear repulsion energy	227.201973

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'	454	454	0.00	10.74	0.11	0.20
2	A₂"	449	449	5.60	0.00	0.75	0.86
3	E'	907	907	340.69	0.20	0.75	0.86
3	E'	907	907	340.73	0.20	0.75	0.86
4	E'	258	258	0.85	5.48	0.75	0.86
4	E'	258	258	0.85	5.48	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.760
Cl3	1.524	-0.880
Cl4	-1.524	-0.880

	B1	Cl2	Cl3	Cl4
B1		1.7598	1.7598	1.7598
Cl2	1.7598		3.0480	3.0480
Cl3	1.7598	3.0480		3.0480
Cl4	1.7598	3.0480	3.0480

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: B97D3/3-21G*

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	0.307
2	Cl	-0.102
3	Cl	-0.102
4	Cl	-0.102

<r²>	184.954
(<r²>)^1/2	13.600

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

using model chemistry: B97D3/3-21G*

States and conformations

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