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	hartrees
Energy at 0K	-510.916672
Energy at 298.15K	-510.916535
HF Energy	-510.338814
Nuclear repulsion energy	78.983204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2118	2118
2	Σ	870	870
3	Π	524	524
3	Π	524	524

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.530
O2	0.000	0.000	-1.689
S3	0.000	0.000	1.043

	C1	O2	S3
C1		1.1589	1.5737
O2	1.1589		2.7326
S3	1.5737	2.7326

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

using model chemistry: QCISD(TQ)/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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