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	hartrees
Energy at 0K	-31.135950
Energy at 298.15K	-31.135860
HF Energy	-31.135950
Nuclear repulsion energy	26.064493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	2293	2059	1290.82	31.07	0.22	0.37
2	Σ	886	796	41.07	8.89	0.29	0.45
3	Π	564	507	17.45	3.22	0.75	0.86
3	Π	564	507	17.45	3.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.542
O2	0.000	0.000	-1.686
S3	0.000	0.000	1.047

	C1	O2	S3
C1		1.1442	1.5887
O2	1.1442		2.7329
S3	1.5887	2.7329

Number	Element	Mulliken
1	C	0.265
2	O	-0.040
3	S	-0.224

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

using model chemistry: HF/CEP-31G*

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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<r²>	39.423
(<r²>)^1/2	6.279