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	hartrees
Energy at 0K	-511.521185
Energy at 298.15K	-511.521057
HF Energy	-511.521185
Nuclear repulsion energy	79.472793

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	2173	2057	920.13	21.05	0.40	0.57
2	Σ	884	837	17.34	15.08	0.22	0.37
3	Π	528	500	4.68	1.52	0.75	0.86
3	Π	528	500	4.68	1.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.530
O2	0.000	0.000	-1.678
S3	0.000	0.000	1.038

	C1	O2	S3
C1		1.1481	1.5676
O2	1.1481		2.7157
S3	1.5676	2.7157

Number	Element	Mulliken
1	C	0.313
2	O	-0.240
3	S	-0.073

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

using model chemistry: M06-2X/TZVP

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>	56.370
(<r²>)^1/2	7.508