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	hartrees
Energy at 0K	-436.089226
Energy at 298.15K	-436.087982
HF Energy	-435.983672
Nuclear repulsion energy	32.918312

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.119
S2	0.000	0.000	0.420

	C1	S2
C1		1.5389
S2	1.5389

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.176
2	S	0.176

	x	y	z	Total
	0.000	0.000	1.938	1.938
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/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>	22.277
(<r²>)^1/2	4.720