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	hartrees
Energy at 0K	-1389.584731
Energy at 298.15K	-1389.584788
HF Energy	-1389.584731
Nuclear repulsion energy	224.806008

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'	489	446	0.00	7.18	0.10	0.18
2	A₂"	439	401	25.47	0.00	0.75	0.86
3	E'	1057	966	269.77	0.31	0.75	0.86
3	E'	1057	966	269.77	0.31	0.75	0.86
4	E'	257	235	3.00	3.55	0.75	0.86
4	E'	257	235	3.00	3.55	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.779
Cl3	1.540	-0.889
Cl4	-1.540	-0.889

	B1	Cl2	Cl3	Cl4
B1		1.7785	1.7785	1.7785
Cl2	1.7785		3.0805	3.0805
Cl3	1.7785	3.0805		3.0805
Cl4	1.7785	3.0805	3.0805

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: PBEPBE/STO-3G

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	0.297
2	Cl	-0.099
3	Cl	-0.099
4	Cl	-0.099

<r²>	187.162
(<r²>)^1/2	13.681

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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