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	hartrees
Energy at 0K	-2444.118476
Energy at 298.15K	-2444.116696
HF Energy	-2444.118476
Nuclear repulsion energy	72.699927

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.437
Se2	0.000	0.000	0.296

	N1	Se2
N1		1.7324
Se2	1.7324

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	-0.391
2	Se	0.391

	x	y	z	Total
	0.000	0.000	1.705	1.705
CHELPG
AIM
ESP

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

using model chemistry: PBEPBEultrafine/3-21G

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>	32.250
(<r²>)^1/2	5.679