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	hartrees
Energy at 0K	-510.720496
Energy at 298.15K	-510.720389
HF Energy	-510.311578
Nuclear repulsion energy	79.622614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2207	2042	965.46
2	Σ	902	834	23.59
3	Π	543	503	7.42
3	Π	543	503	7.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.529
O2	0.000	0.000	-1.675
S3	0.000	0.000	1.036

	C1	O2	S3
C1		1.1453	1.5653
O2	1.1453		2.7106
S3	1.5653	2.7106

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

using model chemistry: CISD/6-311G*

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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