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	hartrees
Energy at 0K	-539.263127
Energy at 298.15K	-539.264334
HF Energy	-539.263127
Nuclear repulsion energy	158.190178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	719	715	0.00
2	A₂"	274	272	89.89
3	E'	1018	1011	78.56
3	E'	1018	1011	78.54
4	E'	243	242	25.33
4	E'	243	242	25.32

Atom	x (Å)	y (Å)
Al1	0.000	0.000
F2	0.000	1.643
F3	1.423	-0.822
F4	-1.423	-0.822

	Al1	F2	F3	F4
Al1		1.6435	1.6435	1.6435
F2	1.6435		2.8466	2.8466
F3	1.6435	2.8466		2.8466
F4	1.6435	2.8466	2.8466

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	F3	120.000		F2	Al1	F4	120.000
F3	Al1	F4	120.000

All results from a given calculation for AlF₃ (Aluminum trifluoride)

using model chemistry: BLYP/3-21G*

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	Al	0.809
2	F	-0.270
3	F	-0.270
4	F	-0.270

<r²>	89.466
(<r²>)^1/2	9.459

All results from a given calculation for AlF3 (Aluminum trifluoride)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for AlF₃ (Aluminum trifluoride)