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	hartrees
Energy at 0K	-511.468728
Energy at 298.15K	-511.468684
HF Energy	-511.468728
Nuclear repulsion energy	36.478153

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.223
Cl2	0.000	0.000	0.504

	N1	Cl2
N1		1.7263
Cl2	1.7263

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	-0.057
2	Cl	0.057

	x	y	z	Total
	0.000	0.000	0.127	0.127
CHELPG
AIM
ESP

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

using model chemistry: ROHF/3-21G*

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>	26.070
(<r²>)^1/2	5.106