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	hartrees
Energy at 0K	-1405.264917
Energy at 298.15K
HF Energy	-1405.013756
Nuclear repulsion energy	229.353499

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'	475	454	0.00	8.95	0.07	0.12
2	A₂"	459	438	5.56	0.00	0.75	0.86
3	E'	959	916	357.22	0.52	0.75	0.86
3	E'	959	916	357.25	0.52	0.75	0.86
4	E'	256	245	0.73	2.31	0.75	0.86
4	E'	256	245	0.73	2.31	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		1.7433	1.7433	1.7433
Cl2	1.7433		3.0194	3.0194
Cl3	1.7433	3.0194		3.0194
Cl4	1.7433	3.0194	3.0194

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=FULLultrafine/cc-pVTZ

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	0.148
2	Cl	-0.050
3	Cl	-0.050
4	Cl	-0.050

<r²>	181.818
(<r²>)^1/2	13.484

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

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

States and conformations

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