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	hartrees
Energy at 0K	-510.773698
Energy at 298.15K	-510.773570
HF Energy	-510.298792
Nuclear repulsion energy	78.465639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2101	2101	889.78
2	Σ	867	867	16.22
3	Π	530	530	2.56
3	Π	530	530	2.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.536
O2	0.000	0.000	-1.700
S3	0.000	0.000	1.051

	C1	O2	S3
C1		1.1634	1.5872
O2	1.1634		2.7506
S3	1.5872	2.7506

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

using model chemistry: CCSD=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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