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	hartrees
Energy at 0K	-511.288818
Energy at 298.15K	-511.288662
HF Energy	-511.288818
Nuclear repulsion energy	79.142641

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	2153	2056	775.42	18.15	0.59	0.74
2	Σ	896	855	10.34	19.13	0.15	0.26
3	Π	510	487	3.81	1.38	0.75	0.86
3	Π	510	487	3.81	1.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.525
O2	0.000	0.000	-1.687
S3	0.000	0.000	1.040

	C1	O2	S3
C1		1.1622	1.5653
O2	1.1622		2.7275
S3	1.5653	2.7275

Number	Element	Mulliken
1	C	0.206
2	O	-0.255
3	S	0.049

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

using model chemistry: HSEh1PBE/6-31+G**

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>	56.647
(<r²>)^1/2	7.526