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	hartrees
Energy at 0K	-510.742294
Energy at 298.15K	-510.742158
HF Energy	-510.290082
Nuclear repulsion energy	78.592542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2141	2141	762.67
2	Σ	876	876	13.30
3	Π	525	525	5.90
3	Π	525	525	5.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.536
O2	0.000	0.000	-1.697
S3	0.000	0.000	1.049

	C1	O2	S3
C1		1.1612	1.5849
O2	1.1612		2.7461
S3	1.5849	2.7461

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

using model chemistry: CCSD=FULL/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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