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	hartrees
Energy at 0K	-510.712176
Energy at 298.15K	-510.712080
HF Energy	-510.301062
Nuclear repulsion energy	78.943116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2163	2163	978.44
2	Σ	888	888	20.80
3	Π	548	548	3.43
3	Π	548	548	3.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.535
O2	0.000	0.000	-1.689
S3	0.000	0.000	1.045

	C1	O2	S3
C1		1.1536	1.5802
O2	1.1536		2.7338
S3	1.5802	2.7338

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

using model chemistry: CISD/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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