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	hartrees
Energy at 0K	-510.761009
Energy at 298.15K	-510.760886
HF Energy	-510.310935
Nuclear repulsion energy	79.406534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2178	2080	932.87
2	Σ	897	857	20.96
3	Π	529	505	5.56
3	Π	529	505	5.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.529
O2	0.000	0.000	-1.680
S3	0.000	0.000	1.038

	C1	O2	S3
C1		1.1512	1.5668
O2	1.1512		2.7181
S3	1.5668	2.7181

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

using model chemistry: CCD/6-311G**

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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