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	hartrees
Energy at 0K	-4637.501239
Energy at 298.15K	-4637.497586
HF Energy	-4637.501239
Nuclear repulsion energy	273.707914

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	-1.101
Se2	0.000	0.000	1.068

	As1	Se2
As1		2.1692
Se2	2.1692

Number	Element	Mulliken	CHELPG	AIM	ESP
1	As	0.148
2	Se	-0.148

	x	y	z	Total
	0.000	0.000	-0.964	0.964
CHELPG
AIM
ESP

All results from a given calculation for AsSe (Arsenic monoselenide)

using model chemistry: B3LYP/TZVP

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>	101.043
(<r²>)^1/2	10.052