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	hartrees
Energy at 0K	-75.544625
Energy at 298.15K	-75.545542
HF Energy	-75.544625
Nuclear repulsion energy	59.393630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	888	843	0.00
2	A₂"	684	650	101.09
3	E'	1476	1402	459.08
3	E'	1476	1402	459.16
4	E'	474	451	13.42
4	E'	474	451	13.43

Atom	x (Å)	y (Å)
B1	0.000	0.000
F2	0.000	1.317
F3	1.141	-0.659
F4	-1.141	-0.659

	B1	F2	F3	F4
B1		1.3175	1.3175	1.3175
F2	1.3175		2.2819	2.2819
F3	1.3175	2.2819		2.2819
F4	1.3175	2.2819	2.2819

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	B1	F3	120.000		F2	B1	F4	120.000
F3	B1	F4	120.000

All results from a given calculation for BF₃ (Borane, trifluoro-)

using model chemistry: mPW1PW91/CEP-121G*

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	0.547
2	F	-0.182
3	F	-0.182
4	F	-0.182

<r²>	49.155
(<r²>)^1/2	7.011

All results from a given calculation for BF3 (Borane, trifluoro-)

using model chemistry: mPW1PW91/CEP-121G*

States and conformations

All results from a given calculation for BF₃ (Borane, trifluoro-)