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	hartrees
Energy at 0K	-496.749937
Energy at 298.15K	-496.748493
HF Energy	-496.749937
Nuclear repulsion energy	32.361836

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.233
Cl2	0.000	0.000	0.435

	C1	Cl2
C1		1.6679
Cl2	1.6679

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.144
2	Cl	0.144

	x	y	z	Total
	0.000	0.000	1.575	1.575
CHELPG
AIM
ESP

All results from a given calculation for CCl (carbon monochloride)

using model chemistry: LSDA/cc-pVDZ

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>	23.989
(<r²>)^1/2	4.898