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	hartrees
Energy at 0K	-514.854580
Energy at 298.15K	-514.854591
HF Energy	-514.854580
Nuclear repulsion energy

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.142
Cl2	0.000	0.000	0.470

	N1	Cl2
N1		1.6119
Cl2	1.6119

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	-0.439
2	Cl	0.439

	x	y	z	Total
	0.000	0.000	1.109	1.109
CHELPG
AIM
ESP

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

using model chemistry: wB97X-D/aug-cc-pVQZ

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>	24.089
(<r²>)^1/2	4.908