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	hartrees
Energy at 0K	-508.931222
Energy at 298.15K	-508.931212
HF Energy	-508.931222
Nuclear repulsion energy	35.303734

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.263
Cl2	0.000	0.000	0.520

	N1	Cl2
N1		1.7837
Cl2	1.7837

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	0.052
2	Cl	-0.052

	x	y	z	Total
	0.000	0.000	-0.527	0.527
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/STO-3G

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>	25.956
(<r²>)^1/2	5.095