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	hartrees
Energy at 0K	-1405.552316
Energy at 298.15K	-1405.552536
HF Energy	-1405.552316
Nuclear repulsion energy	229.346538

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'	484	458	0.00	7.90	0.07	0.14
2	A₂"	444	420	8.61	0.00	0.75	0.86
3	E'	972	920	414.46	0.01	0.75	0.86
3	E'	972	920	414.54	0.01	0.75	0.86
4	E'	257	243	0.92	3.44	0.75	0.86
4	E'	257	243	0.92	3.47	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		3.0195	3.0195
Cl3	1.7433	3.0195		3.0195
Cl4	1.7433	3.0195	3.0195

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/TZVP

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	0.168
2	Cl	-0.056
3	Cl	-0.056
4	Cl	-0.056

<r²>	182.041
(<r²>)^1/2	13.492

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

using model chemistry: M06-2X/TZVP

States and conformations

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