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	hartrees
Energy at 0K	-510.825072
Energy at 298.15K	-510.824992
HF Energy	-510.340771
Nuclear repulsion energy	79.738085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2206	2051	952.24
2	Σ	900	837	22.68
3	Π	559	520	5.86
3	Π	559	520	5.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.529
O2	0.000	0.000	-1.672
S3	0.000	0.000	1.035

	C1	O2	S3
C1		1.1429	1.5637
O2	1.1429		2.7066
S3	1.5637	2.7066

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

using model chemistry: CISD/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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