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	hartrees
Energy at 0K	-13776.061124
Energy at 298.15K
HF Energy	-13775.835997
Nuclear repulsion energy	548.379732

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	1.355
I2	0.000	0.000	-1.355

	I1	I2
I1		2.7106
I2	2.7106

All results from a given calculation for I₂ (Iodine diatomic)

using model chemistry: MP2/3-21G*

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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All results from a given calculation for I2 (Iodine diatomic)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for I₂ (Iodine diatomic)