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	hartrees
Energy at 0K	-510.801373
Energy at 298.15K	-510.801225
HF Energy	-510.298196
Nuclear repulsion energy	78.139310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2054	2054
2	Σ	854	854
3	Π	518	518
3	Π	518	518

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.535
O2	0.000	0.000	-1.708
S3	0.000	0.000	1.055

	C1	O2	S3
C1		1.1726	1.5899
O2	1.1726		2.7624
S3	1.5899	2.7624

All results from a given calculation for OCS (Carbonyl sulfide)

using model chemistry: CCSD(T)=FULL/daug-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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