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	hartrees
Energy at 0K	-100.383794
Energy at 298.15K
Nuclear repulsion energy	5.120693

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.093
H2	0.000	0.000	-0.837

	F1	H2
F1		0.9301
H2	0.9301

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.311
2	H	0.311

	x	y	z	Total
	0.000	0.000	-1.790	1.790
CHELPG
AIM
ESP

All results from a given calculation for DF (Hydrofluoric acid-d)

using model chemistry: PBEPBE/cc-pVTZ

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>	3.886
(<r²>)^1/2	1.971