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	hartrees
Energy at 0K	-900.626063
Energy at 298.15K	-900.627160
Nuclear repulsion energy	199.394597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	871	791	215.93
2	A₁	530	482	52.71
3	A₁	250	227	38.99
4	B₁	282	256	118.46
5	B₂	992	901	188.58
6	B₂	197	179	15.71

Atom	y (Å)	z (Å)
Al1	0.000	-0.419
Cl2	0.000	1.641
F3	1.388	-1.247
F4	-1.388	-1.247

	Al1	Cl2	F3	F4
Al1		2.0597	1.6159	1.6159
Cl2	2.0597		3.2038	3.2038
F3	1.6159	3.2038		2.7753
F4	1.6159	3.2038	2.7753

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	Al1	F3	120.825		Cl2	Al1	F4	120.825
F3	Al1	F4	118.351

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

using model chemistry: HF/6-311+G(3df,2p)

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	1.682
2	Cl	-0.519
3	F	-0.581
4	F	-0.581

	x	y	z	Total
	0.000	0.000	0.426	0.426
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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