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	hartrees
Energy at 0K	-902.637274
Energy at 298.15K	-902.638244
Nuclear repulsion energy	197.092665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	842	809	187.17
2	A₁	512	492	48.73
3	A₁	226	217	34.63
4	B₁	252	242	103.75
5	B₂	972	933	147.79
6	B₂	177	170	16.52

Atom	y (Å)	z (Å)
Al1	0.000	-0.417
Cl2	0.000	1.644
F3	1.422	-1.251
F4	-1.422	-1.251

	Al1	Cl2	F3	F4
Al1		2.0611	1.6491	1.6491
Cl2	2.0611		3.2259	3.2259
F3	1.6491	3.2259		2.8450
F4	1.6491	3.2259	2.8450

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	Al1	F3	120.390		Cl2	Al1	F4	120.390
F3	Al1	F4	119.220

All results from a given calculation for AlF₂Cl (Aluminum chloride difluoride)

using model chemistry: B1B95/6-311G**

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	1.203
2	Cl	-0.325
3	F	-0.439
4	F	-0.439

	x	y	z	Total
	0.000	0.000	0.247	0.247
CHELPG
AIM
ESP

<r²>	135.123
(<r²>)^1/2	11.624

All results from a given calculation for AlF2Cl (Aluminum chloride difluoride)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for AlF₂Cl (Aluminum chloride difluoride)