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	hartrees
Energy at 0K	-514.874856
Energy at 298.15K	-514.874863
HF Energy	-514.874856
Nuclear repulsion energy	38.390600

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.162
Cl2	0.000	0.000	0.478

	N1	Cl2
N1		1.6403
Cl2	1.6403

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	-0.137
2	Cl	0.137

	x	y	z	Total
	0.000	0.000	1.015	1.015
CHELPG
AIM
ESP

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

using model chemistry: B1B95/cc-pCVDZ

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>	24.373
(<r²>)^1/2	4.937