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	hartrees
Energy at 0K	-435.598317
Energy at 298.15K	-435.597074
Nuclear repulsion energy	32.563900

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.135
S2	0.000	0.000	0.425

	C1	S2
C1		1.5600
S2	1.5600

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

using model chemistry: MP2=FULL/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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