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	hartrees
Energy at 0K	-510.913355
Energy at 298.15K	-510.913224
HF Energy	-510.335062
Nuclear repulsion energy	79.191654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2117	2117
2	Σ	876	876
3	Π	528	528
3	Π	528	528

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.528
O2	0.000	0.000	-1.685
S3	0.000	0.000	1.041

	C1	O2	S3
C1		1.1570	1.5687
O2	1.1570		2.7257
S3	1.5687	2.7257

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

using model chemistry: QCISD(TQ)/6-311+G(3df,2p)

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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