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	hartrees
Energy at 0K	-510.798889
Energy at 298.15K	-510.798731
HF Energy	-510.296933
Nuclear repulsion energy	78.031546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2044	1983
2	Σ	856	830
3	Π	512	496
3	Π	512	496

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.536
O2	0.000	0.000	-1.710
S3	0.000	0.000	1.056

	C1	O2	S3
C1		1.1740	1.5920
O2	1.1740		2.7659
S3	1.5920	2.7659

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

using model chemistry: QCISD(T)=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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