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	hartrees
Energy at 0K	-510.777196
Energy at 298.15K	-510.777075
HF Energy	-510.299785
Nuclear repulsion energy	78.500591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2104	2104	886.50
2	Σ	869	869	15.99
3	Π	533	533	2.23
3	Π	533	533	2.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.536
O2	0.000	0.000	-1.699
S3	0.000	0.000	1.050

	C1	O2	S3
C1		1.1632	1.5862
O2	1.1632		2.7494
S3	1.5862	2.7494

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

using model chemistry: CCSD=FULL/daug-cc-pVDZ

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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