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	hartrees
Energy at 0K	-2501.485870
Energy at 298.15K	-2501.484108
HF Energy	-2501.485870
Nuclear repulsion energy	91.743882

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.369
F2	0.000	0.000	-1.396

	Se1	F2
Se1		1.7650
F2	1.7650

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Se	0.462
2	F	-0.462

	x	y	z	Total
	0.000	0.000	1.513	1.513
CHELPG
AIM
ESP

All results from a given calculation for SeF (Selenium monofluoride)

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>	36.633
(<r²>)^1/2	6.053