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	hartrees
Energy at 0K	-511.476338
Energy at 298.15K	-511.476134
HF Energy	-511.476338
Nuclear repulsion energy	78.494718

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	2058	2023	625.28	16.01	0.61	0.76
2	Σ	860	845	5.76	20.71	0.16	0.27
3	Π	486	477	2.25	1.22	0.75	0.86
3	Π	486	477	2.25	1.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.526
O2	0.000	0.000	-1.702
S3	0.000	0.000	1.048

	C1	O2	S3
C1		1.1761	1.5743
O2	1.1761		2.7504
S3	1.5743	2.7504

Number	Element	Mulliken
1	C	0.162
2	O	-0.229
3	S	0.067

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

using model chemistry: B97D3/6-31+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>	57.258
(<r²>)^1/2	7.567