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	hartrees
Energy at 0K	-510.940066
Energy at 298.15K	-510.939955
HF Energy	-510.353581
Nuclear repulsion energy	79.506137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2144	2044	909.73
2	Σ	883	842	19.72
3	Π	541	516	2.72
3	Π	541	516	2.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.529
O2	0.000	0.000	-1.678
S3	0.000	0.000	1.037

	C1	O2	S3
C1		1.1490	1.5656
O2	1.1490		2.7146
S3	1.5656	2.7146

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

using model chemistry: CCSD/aug-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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