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	hartrees
Energy at 0K	-1405.682112
Energy at 298.15K	-1405.682334
HF Energy	-1405.682112
Nuclear repulsion energy	230.286356

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'	480	480	0.00	10.38	0.03	0.06
2	A₂"	457	457	4.31	0.00	0.75	0.86
3	E'	966	966	346.26	0.88	0.75	0.86
3	E'	966	966	346.32	0.88	0.75	0.86
4	E'	256	256	0.66	1.31	0.75	0.86
4	E'	256	256	0.66	1.31	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.736
Cl3	1.504	-0.868
Cl4	-1.504	-0.868

	B1	Cl2	Cl3	Cl4
B1		1.7362	1.7362	1.7362
Cl2	1.7362		3.0072	3.0072
Cl3	1.7362	3.0072		3.0072
Cl4	1.7362	3.0072	3.0072

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: mPW1PW91/6-311+G(3df,2p)

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	1.034
2	Cl	-0.345
3	Cl	-0.345
4	Cl	-0.345

<r²>	180.442
(<r²>)^1/2	13.433

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

using model chemistry: mPW1PW91/6-311+G(3df,2p)

States and conformations

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