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	hartrees
Energy at 0K	-498.113346
Energy at 298.15K	-498.111874
HF Energy	-498.113346
Nuclear repulsion energy	31.684706

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.259
Cl2	0.000	0.000	0.444

	C1	Cl2
C1		1.7035
Cl2	1.7035

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.201
2	Cl	0.201

	x	y	z	Total
	0.000	0.000	1.365	1.365
CHELPG
AIM
ESP

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

using model chemistry: BLYP/6-31+G**

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>	24.910
(<r²>)^1/2	4.991