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	hartrees
Energy at 0K	-510.260621
Energy at 298.15K	-510.260540
HF Energy	-510.260621
Nuclear repulsion energy	79.817080

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	2306	2082	1181.39	27.92	0.38	0.55
2	Σ	889	803	46.76	7.97	0.19	0.32
3	Π	567	511	19.77	1.27	0.75	0.86
3	Π	567	511	19.77	1.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.537
O2	0.000	0.000	-1.668
S3	0.000	0.000	1.035

	C1	O2	S3
C1		1.1313	1.5723
O2	1.1313		2.7036
S3	1.5723	2.7036

Number	Element	Mulliken
1	C	0.433
2	O	-0.364
3	S	-0.069

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

using model chemistry: HF/6-31G**

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>	56.244
(<r²>)^1/2	7.500