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	hartrees
Energy at 0K	-514.889443
Energy at 298.15K	-514.889447
HF Energy	-514.889443
Nuclear repulsion energy	38.416917

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.161
Cl2	0.000	0.000	0.478

	N1	Cl2
N1		1.6392
Cl2	1.6392

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	-0.090
2	Cl	0.090

	x	y	z	Total
	0.000	0.000	1.095	1.095
CHELPG
AIM
ESP

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

using model chemistry: B1B95/TZVP

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>	24.556
(<r²>)^1/2	4.955