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	hartrees
Energy at 0K	-2476.731942
Energy at 298.15K
HF Energy	-2476.731942
Nuclear repulsion energy	87.353607

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.314
O2	0.000	0.000	-1.334

	Se1	O2
Se1		1.6477
O2	1.6477

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Se	0.599
2	O	-0.599

	x	y	z	Total
	0.000	0.000	1.997	1.997
CHELPG
AIM
ESP

All results from a given calculation for SeO (Selenium monoxide)

using model chemistry: TPSSh/aug-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>	32.211
(<r²>)^1/2	5.676