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	hartrees
Energy at 0K	-511.116406
Energy at 298.15K	-511.116278
HF Energy	-510.339255
Nuclear repulsion energy	79.204443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2100	2100
2	Σ	877	877
3	Π	532	532
3	Π	532	532

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.526
O2	0.000	0.000	-1.685
S3	0.000	0.000	1.040

	C1	O2	S3
C1		1.1591	1.5661
O2	1.1591		2.7251
S3	1.5661	2.7251

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

using model chemistry: CCSD(T)=FULL/Def2TZVPP

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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