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	hartrees
Energy at 0K	-511.178978
Energy at 298.15K	-511.178729
HF Energy	-511.178978
Nuclear repulsion energy	77.507495

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	2063	1972	573.11	10.11	0.39	0.56
2	Σ	820	783	5.76	14.76	0.25	0.40
3	Π	466	446	5.89	1.36	0.75	0.86
3	Π	466	446	5.89	1.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.543
O2	0.000	0.000	-1.721
S3	0.000	0.000	1.064

	C1	O2	S3
C1		1.1773	1.6073
O2	1.1773		2.7846
S3	1.6073	2.7846

Number	Element	Mulliken
1	C	0.110
2	O	-0.295
3	S	0.185

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

using model chemistry: PBE1PBE/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>	58.743
(<r²>)^1/2	7.664