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	hartrees
Energy at 0K	-1405.190352
Energy at 298.15K	-1405.190592
HF Energy	-1404.977034
Nuclear repulsion energy	229.097445

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'	479	479	0.00	8.18	0.13	0.23
2	A₂"	458	458	7.91	0.00	0.75	0.86
3	E'	965	965	420.66	0.22	0.75	0.86
3	E'	965	965	420.68	0.22	0.75	0.86
4	E'	263	263	0.72	4.51	0.75	0.86
4	E'	263	263	0.72	4.52	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.745
Cl3	1.511	-0.873
Cl4	-1.511	-0.873

	B1	Cl2	Cl3	Cl4
B1		1.7452	1.7452	1.7452
Cl2	1.7452		3.0228	3.0228
Cl3	1.7452	3.0228		3.0228
Cl4	1.7452	3.0228	3.0228

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

using model chemistry: B2PLYP=FULL/6-311G**

States and conformations

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