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	hartrees
Energy at 0K	-397.464179
Energy at 298.15K
HF Energy	-397.464179
Nuclear repulsion energy	62.098915

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.278
F2	0.000	0.000	-1.639

	I1	F2
I1		1.9173
F2	1.9173

Number	Element	Mulliken	CHELPG	AIM	ESP
1	I	0.332
2	F	-0.332

	x	y	z	Total
	0.000	0.000	1.864	1.864
CHELPG
AIM
ESP

All results from a given calculation for IF (Iodine monofluoride)

using model chemistry: TPSSh/Def2TZVPP

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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<r²>	45.751
(<r²>)^1/2	6.764