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	hartrees
Energy at 0K	-508.779951
Energy at 298.15K	-508.779809
HF Energy	-508.655415
Nuclear repulsion energy	78.331018

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	2029	2029	419.80	9.41	0.34	0.51
2	Σ	862	862	5.93	16.93	0.29	0.45
3	Π	528	528	4.78	0.86	0.75	0.86
3	Π	528	528	4.78	0.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.521
O2	0.000	0.000	-1.708
S3	0.000	0.000	1.049

	C1	O2	S3
C1		1.1866	1.5701
O2	1.1866		2.7567
S3	1.5701	2.7567

Number	Element	Mulliken
1	C	0.287
2	O	-0.369
3	S	0.082

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

using model chemistry: B2PLYP/3-21G*

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>	57.494
(<r²>)^1/2	7.582