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	hartrees
Energy at 0K	-1403.352580
Energy at 298.15K	-1403.352870
HF Energy	-1403.352580
Nuclear repulsion energy	229.262532

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'	490	444	0.00	6.36	0.05	0.09
2	A₂"	483	438	12.54	0.00	0.00	0.00
3	E'	989	897	402.04	0.41	0.75	0.86
3	E'	989	897	402.04	0.41	0.75	0.86
4	E'	269	243	1.01	1.50	0.75	0.86
4	E'	269	243	1.01	1.50	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		1.7440	1.7440	1.7440
Cl2	1.7440		3.0206	3.0206
Cl3	1.7440	3.0206		3.0206
Cl4	1.7440	3.0206	3.0206

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: HF/Def2TZVPP

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	0.351
2	Cl	-0.117
3	Cl	-0.117
4	Cl	-0.117

<r²>	182.212
(<r²>)^1/2	13.499

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

using model chemistry: HF/Def2TZVPP

States and conformations

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