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	hartrees
Energy at 0K	-1405.458489
Energy at 298.15K	-1405.458720
HF Energy	-1405.458489
Nuclear repulsion energy	229.313116

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'	487	464	0.00	8.58	0.07	0.13
2	A₂"	449	427	8.85	0.00	0.75	0.86
3	E'	981	934	418.36	0.08	0.75	0.86
3	E'	981	934	418.40	0.09	0.75	0.86
4	E'	261	248	0.92	3.50	0.75	0.86
4	E'	261	248	0.93	3.52	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.744
Cl3	1.510	-0.872
Cl4	-1.510	-0.872

	B1	Cl2	Cl3	Cl4
B1		1.7436	1.7436	1.7436
Cl2	1.7436		3.0200	3.0200
Cl3	1.7436	3.0200		3.0200
Cl4	1.7436	3.0200	3.0200

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: M06-2X/6-31+G**

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	-0.029
2	Cl	0.010
3	Cl	0.010
4	Cl	0.010

<r²>	182.211
(<r²>)^1/2	13.499

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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