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	hartrees
Energy at 0K	-511.539491
Energy at 298.15K	-511.539384
HF Energy	-511.539491
Nuclear repulsion energy	79.691801

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	2163	2163	908.93	21.22	0.46	0.63
2	Σ	891	891	16.72	15.40	0.17	0.29
3	Π	543	543	3.51	0.78	0.75	0.86
3	Π	543	543	3.51	0.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.526
O2	0.000	0.000	-1.674
S3	0.000	0.000	1.034

	C1	O2	S3
C1		1.1479	1.5605
O2	1.1479		2.7084
S3	1.5605	2.7084

Number	Element	Mulliken
1	C	0.252
2	O	-0.111
3	S	-0.140

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

using model chemistry: M06-2X/Def2TZVPP

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>	55.970
(<r²>)^1/2	7.481