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	hartrees
Energy at 0K	-1404.917018
Energy at 298.15K	-1404.917182
HF Energy	-1404.917018
Nuclear repulsion energy	227.846925

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'	466	458	0.00	9.40	0.10	0.18
2	A₂"	441	434	5.20	0.00	0.75	0.86
3	E'	942	927	354.20	0.10	0.75	0.86
3	E'	942	926	354.23	0.10	0.75	0.86
4	E'	255	251	0.66	5.36	0.75	0.86
4	E'	255	251	0.66	5.35	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.755
Cl3	1.520	-0.877
Cl4	-1.520	-0.877

	B1	Cl2	Cl3	Cl4
B1		1.7548	1.7548	1.7548
Cl2	1.7548		3.0394	3.0394
Cl3	1.7548	3.0394		3.0394
Cl4	1.7548	3.0394	3.0394

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: PBEPBEultrafine/6-31G*

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	0.010
2	Cl	-0.003
3	Cl	-0.003
4	Cl	-0.003

<r²>	183.690
(<r²>)^1/2	13.553

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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