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	hartrees
Energy at 0K	-514.802885
Energy at 298.15K	-514.802890
HF Energy	-514.592839
Nuclear repulsion energy	38.930815

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.146
Cl2	0.000	0.000	0.472

	N1	Cl2
N1		1.6175
Cl2	1.6175

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

using model chemistry: B2PLYP=FULL/cc-pCVTZ

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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