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	hartrees
Energy at 0K	-1405.697557
Energy at 298.15K	-1405.697772
HF Energy	-1405.697557
Nuclear repulsion energy	229.783773

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'	477	458	0.00	8.32	0.06	0.12
2	A₂"	454	436	5.37	0.00	0.75	0.86
3	E'	965	925	356.55	0.57	0.75	0.86
3	E'	965	925	356.58	0.57	0.75	0.86
4	E'	254	244	0.72	2.21	0.75	0.86
4	E'	254	244	0.72	2.21	0.75	0.86

Atom	x (Å)	y (Å)
B1	0.000	0.000
Cl2	0.000	1.740
Cl3	1.507	-0.870
Cl4	-1.507	-0.870

	B1	Cl2	Cl3	Cl4
B1		1.7400	1.7400	1.7400
Cl2	1.7400		3.0138	3.0138
Cl3	1.7400	3.0138		3.0138
Cl4	1.7400	3.0138	3.0138

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/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	0.132
2	Cl	-0.044
3	Cl	-0.044
4	Cl	-0.044

<r²>	180.960
(<r²>)^1/2	13.452

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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