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	hartrees
Energy at 0K	-2439.567968
Energy at 298.15K
HF Energy	-2439.567968
Nuclear repulsion energy	63.932613

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.435
Se2	0.000	0.000	0.253

	C1	Se2
C1		1.6885
Se2	1.6885

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.179
2	Se	0.179

	x	y	z	Total
	0.000	0.000	1.978	1.978
CHELPG
AIM
ESP

All results from a given calculation for CSe (Carbon monoselenide)

using model chemistry: B3LYP/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>	29.720
(<r²>)^1/2	5.452