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	hartrees
Energy at 0K	-514.179651
Energy at 298.15K
HF Energy	-513.878055
Nuclear repulsion energy	38.433605

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.161
Cl2	0.000	0.000	0.478

	N1	Cl2
N1		1.6385
Cl2	1.6385

All results from a given calculation for NCl (nitrogen monochloride)

using model chemistry: MP2=FULL/cc-pV(D+d)Z

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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