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	hartrees
Energy at 0K	-436.239969
Energy at 298.15K	-436.238726
Nuclear repulsion energy	32.778740

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.127
S2	0.000	0.000	0.423

	C1	S2
C1		1.5498
S2	1.5498

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.414	0.000
2	S	0.414	0.000

	x	y	z	Total
	0.000	0.000	1.823	1.823
CHELPG	0.000	0.000	0.000	0.000
AIM
ESP

All results from a given calculation for CS (carbon monosulfide)

using model chemistry: B3LYP/aug-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>	22.476
(<r²>)^1/2	4.741