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	hartrees
Energy at 0K	-510.821326
Energy at 298.15K	-510.821250
HF Energy	-510.340897
Nuclear repulsion energy	79.817490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2218	2055	985.62
2	Σ	904	837	23.96
3	Π	562	521	5.95
3	Π	562	521	5.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.529
O2	0.000	0.000	-1.670
S3	0.000	0.000	1.034

	C1	O2	S3
C1		1.1412	1.5627
O2	1.1412		2.7039
S3	1.5627	2.7039

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

using model chemistry: CID/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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