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	hartrees
Energy at 0K	-436.274262
Energy at 298.15K	-436.273022
HF Energy	-436.274262
Nuclear repulsion energy	33.208841

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.111
S2	0.000	0.000	0.417

	C1	S2
C1		1.5283
S2	1.5283

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.385
2	S	0.385

	x	y	z	Total
	0.000	0.000	1.900	1.900
CHELPG
AIM
ESP

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

using model chemistry: B1B95/aug-cc-pVTZ

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>	22.045
(<r²>)^1/2	4.695