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	hartrees
Energy at 0K	-1405.799881
Energy at 298.15K	-1405.800089
HF Energy	-1405.799881
Nuclear repulsion energy	230.220282

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'	478	457	0.00	8.50	0.06	0.12
2	A₂"	451	431	5.11	0.00	0.75	0.86
3	E'	966	925	362.11	0.55	0.75	0.86
3	E'	966	925	362.19	0.56	0.75	0.86
4	E'	252	241	0.74	2.24	0.75	0.86
4	E'	252	241	0.74	2.25	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.737
Cl3	1.504	-0.868
Cl4	-1.504	-0.868

	B1	Cl2	Cl3	Cl4
B1		1.7367	1.7367	1.7367
Cl2	1.7367		3.0081	3.0081
Cl3	1.7367	3.0081		3.0081
Cl4	1.7367	3.0081	3.0081

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: B1B95/cc-pVTZ

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	0.117
2	Cl	-0.039
3	Cl	-0.039
4	Cl	-0.039

<r²>	180.317
(<r²>)^1/2	13.428

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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