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	hartrees
Energy at 0K	-511.348908
Energy at 298.15K	-511.348751
HF Energy	-511.192747
Nuclear repulsion energy	79.017524

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	2102	2102	654.97	14.01	0.31	0.47
2	Σ	875	875	8.04	20.30	0.26	0.42
3	Π	514	514	3.80	1.67	0.75	0.86
3	Π	514	514	3.80	1.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.528
O2	0.000	0.000	-1.689
S3	0.000	0.000	1.042

	C1	O2	S3
C1		1.1615	1.5702
O2	1.1615		2.7317
S3	1.5702	2.7317

Number	Element	Mulliken
1	C	0.127
2	O	-0.189
3	S	0.062

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

using model chemistry: B2PLYP/6-311G*

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>	56.820
(<r²>)^1/2	7.538