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	hartrees
Energy at 0K	-1405.640748
Energy at 298.15K	-1405.640957
HF Energy	-1405.640748
Nuclear repulsion energy	229.385552

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'	474	474	0.00	8.80	0.04	0.08
2	A₂"	455	455	6.01	0.00	0.75	0.86
3	E'	959	959	357.64	0.65	0.75	0.86
3	E'	959	959	358.72	0.65	0.75	0.86
4	E'	255	255	0.72	1.69	0.75	0.86
4	E'	255	255	0.73	1.69	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		1.7430	1.7430	1.7430
Cl2	1.7430		3.0190	3.0190
Cl3	1.7430	3.0190		3.0190
Cl4	1.7430	3.0190	3.0190

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/cc-pVQZ

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	0.260
2	Cl	-0.087
3	Cl	-0.087
4	Cl	-0.087

<r²>	181.610
(<r²>)^1/2	13.476

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

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

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