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	hartrees
Energy at 0K	-31.716372
Energy at 298.15K	-31.716097
HF Energy	-31.716372
Nuclear repulsion energy	25.100556

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	1964	1902	554.94	15.43	0.13	0.23
2	Σ	791	766	3.19	16.50	0.33	0.50
3	Π	458	444	4.69	3.47	0.75	0.86
3	Π	458	444	4.69	3.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.552
O2	0.000	0.000	-1.750
S3	0.000	0.000	1.082

	C1	O2	S3
C1		1.1982	1.6337
O2	1.1982		2.8319
S3	1.6337	2.8319

Number	Element	Mulliken
1	C	-0.076
2	O	0.054
3	S	0.022

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

using model chemistry: B3LYP/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>	41.481
(<r²>)^1/2	6.441