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	hartrees
Energy at 0K	-100.435419
Energy at 298.15K
Nuclear repulsion energy	5.171150

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.092
H2	0.000	0.000	-0.829

	F1	H2
F1		0.9210
H2	0.9210

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.283
2	H	0.283

	x	y	z	Total
	0.000	0.000	-1.808	1.808
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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>	3.987
(<r²>)^1/2	1.997