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	hartrees
Energy at 0K	-510.890303
Energy at 298.15K	-510.890188
HF Energy	-510.339887
Nuclear repulsion energy	79.326484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2116	2116	800.34
2	Σ	878	878	15.88
3	Π	541	541	3.39
3	Π	541	541	3.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.528
O2	0.000	0.000	-1.682
S3	0.000	0.000	1.039

	C1	O2	S3
C1		1.1545	1.5664
O2	1.1545		2.7209
S3	1.5664	2.7209

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

using model chemistry: QCISD/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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