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	hartrees
Energy at 0K	-6989.380457
Energy at 298.15K	-6989.378678
HF Energy	-6989.380457
Nuclear repulsion energy	130.318209

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.281
F2	0.000	0.000	-1.656

	I1	F2
I1		1.9369
F2	1.9369

Number	Element	Mulliken	CHELPG	AIM	ESP
1	I	0.287
2	F	-0.287

	x	y	z	Total
	0.000	0.000	1.660	1.660
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/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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<r²>	49.141
(<r²>)^1/2	7.010