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	hartrees
Energy at 0K	-510.771692
Energy at 298.15K	-510.771563
HF Energy	-510.319138
Nuclear repulsion energy	79.347064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2171	2058	950.48
2	Σ	886	840	20.96
3	Π	528	500	3.93
3	Π	528	500	3.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.530
O2	0.000	0.000	-1.681
S3	0.000	0.000	1.039

	C1	O2	S3
C1		1.1505	1.5696
O2	1.1505		2.7200
S3	1.5696	2.7200

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

using model chemistry: CCD/TZVP

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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