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	hartrees
Energy at 0K	-514.629309
Energy at 298.15K	-514.629314
HF Energy	-514.629309
Nuclear repulsion energy	38.822369

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.149
Cl2	0.000	0.000	0.473

	N1	Cl2
N1		1.6221
Cl2	1.6221

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	-0.154
2	Cl	0.154

	x	y	z	Total
	0.000	0.000	1.258	1.258
CHELPG
AIM
ESP

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

using model chemistry: PBEPBEultrafine/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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<r²>	24.207
(<r²>)^1/2	4.920