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	hartrees
Energy at 0K	-497.915187
Energy at 298.15K	-497.913728
HF Energy	-497.915187
Nuclear repulsion energy	32.026521

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.246
Cl2	0.000	0.000	0.440

	C1	Cl2
C1		1.6854
Cl2	1.6854

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.130
2	Cl	0.130

	x	y	z	Total
	0.000	0.000	1.356	1.356
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/6-311G**

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>	24.486
(<r²>)^1/2	4.948