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 NCl (nitrogen monochloride)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

States and conformations

Geometric Data calculated at B2PLYP=FULLultrafine/STO-3G

Point Group is C_∞v

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.271
Cl2	0.000	0.000	0.523

Atom - Atom Distances (Å)

	N1	Cl2
N1		1.7944
Cl2	1.7944

More geometry information