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	hartrees
Energy at 0K	-510.982335
Energy at 298.15K	-510.982205
HF Energy	-510.338737
Nuclear repulsion energy	79.075872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2099	2009
2	Σ	869	831
3	Π	528	506
3	Π	528	506

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.528
O2	0.000	0.000	-1.688
S3	0.000	0.000	1.042

	C1	O2	S3
C1		1.1600	1.5698
O2	1.1600		2.7298
S3	1.5698	2.7298

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

using model chemistry: QCISD(T)=FULL/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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