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	hartrees
Energy at 0K	-510.708838
Energy at 298.15K	-510.708645
HF Energy	-510.257244
Nuclear repulsion energy	78.629563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2126	2126
2	Σ	877	877
3	Π	494	494
3	Π	494	494

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.528
O2	0.000	0.000	-1.698
S3	0.000	0.000	1.047

	C1	O2	S3
C1		1.1703	1.5752
O2	1.1703		2.7455
S3	1.5752	2.7455

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

using model chemistry: QCISD(TQ)/6-31G*

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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