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	hartrees
Energy at 0K	-1405.591318
Energy at 298.15K	-1405.591550
HF Energy	-1405.591318
Nuclear repulsion energy	229.019815

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'	478	457	0.00	6.72	0.13	0.23
2	A₂"	453	434	9.41	0.00	0.75	0.86
3	E'	968	926	429.18	0.13	0.75	0.86
3	E'	968	926	430.20	0.14	0.75	0.86
4	E'	261	250	0.77	4.25	0.75	0.86
4	E'	261	250	0.78	4.25	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		1.7458	1.7458	1.7458
Cl2	1.7458		3.0238	3.0238
Cl3	1.7458	3.0238		3.0238
Cl4	1.7458	3.0238	3.0238

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: wB97X-D/6-311G**

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	0.231
2	Cl	-0.077
3	Cl	-0.077
4	Cl	-0.077

<r²>	182.782
(<r²>)^1/2	13.520

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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