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	hartrees
Energy at 0K	-510.968098
Energy at 298.15K	-510.967966
HF Energy	-510.352350
Nuclear repulsion energy	79.254939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2119	2119
2	Σ	876	876
3	Π	527	527
3	Π	527	527

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.528
O2	0.000	0.000	-1.684
S3	0.000	0.000	1.040

	C1	O2	S3
C1		1.1552	1.5683
O2	1.1552		2.7235
S3	1.5683	2.7235

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

using model chemistry: QCISD(TQ)/cc-pVQZ

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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