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	hartrees
Energy at 0K	-510.895748
Energy at 298.15K	-510.895642
HF Energy	-510.342466
Nuclear repulsion energy	79.533142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2191	2191	1011.11
2	Σ	896	896	19.29
3	Π	545	545	2.44
3	Π	545	545	2.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.530
O2	0.000	0.000	-1.677
S3	0.000	0.000	1.037

	C1	O2	S3
C1		1.1467	1.5670
O2	1.1467		2.7136
S3	1.5670	2.7136

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

using model chemistry: MP3/daug-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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