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	hartrees
Energy at 0K	-511.596140
Energy at 298.15K	-511.595965
HF Energy	-511.596140
Nuclear repulsion energy	78.699038

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	593.30	14.53	0.45	0.62
2	Σ	850	850	4.94	17.99	0.19	0.32
3	Π	505	505	1.50	0.71	0.75	0.86
3	Π	505	505	1.50	0.71	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.527
O2	0.000	0.000	-1.697
S3	0.000	0.000	1.046

	C1	O2	S3
C1		1.1704	1.5726
O2	1.1704		2.7430
S3	1.5726	2.7430

Number	Element	Mulliken
1	C	0.241
2	O	-0.102
3	S	-0.139

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

using model chemistry: BLYP/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>	57.024
(<r²>)^1/2	7.551