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	hartrees
Energy at 0K	-2454.031134
Energy at 298.15K	-2454.029371
HF Energy	-2454.031134
Nuclear repulsion energy	75.914318

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.376
Se2	0.000	0.000	0.283

	N1	Se2
N1		1.6590
Se2	1.6590

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	-0.245
2	Se	0.245

	x	y	z	Total
	0.000	0.000	2.001	2.001
CHELPG
AIM
ESP

All results from a given calculation for NSe (Nitrogen monoselenide)

using model chemistry: B3LYP/6-31G*

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>	30.712
(<r²>)^1/2	5.542