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	hartrees
Energy at 0K	-257.853558
Energy at 298.15K	-257.854167
HF Energy	-257.853558
Nuclear repulsion energy	19.146242

Atom	x (Å)	y (Å)	z (Å)
Ne1	0.000	0.000	1.382
Ne2	0.000	0.000	-1.382

	Ne1	Ne2
Ne1		2.7639
Ne2	2.7639

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ne	0.000
2	Ne	0.000

	x	y	z
x	0.166	0.000	0.000
y	0.000	0.166	0.000
z	0.000	0.000	0.174

All results from a given calculation for Ne₂ (Neon diatomic)

using model chemistry: mPW1PW91/6-311G**

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>	43.375
(<r²>)^1/2	6.586

All results from a given calculation for Ne2 (Neon diatomic)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for Ne₂ (Neon diatomic)