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	hartrees
Energy at 0K	-511.550037
Energy at 298.15K	-511.549881
HF Energy	-511.550037
Nuclear repulsion energy	79.086622

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	2067	2040	633.21	18.52	0.70	0.82
2	Σ	867	856	5.85	23.13	0.10	0.18
3	Π	512	506	1.18	0.28	0.75	0.86
3	Π	512	506	1.18	0.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.524
O2	0.000	0.000	-1.689
S3	0.000	0.000	1.041

	C1	O2	S3
C1		1.1646	1.5650
O2	1.1646		2.7296
S3	1.5650	2.7296

Number	Element	Mulliken
1	C	0.523
2	O	-0.487
3	S	-0.036

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

using model chemistry: B97D3/6-311+G(3df,2p)

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>	56.517
(<r²>)^1/2	7.518