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	hartrees
Energy at 0K	-511.395343
Energy at 298.15K	-511.395089
HF Energy	-511.395343
Nuclear repulsion energy	77.576379

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	2072	2072	623.91	11.81	0.38	0.55
2	Σ	817	817	8.91	14.21	0.25	0.40
3	Π	464	464	7.39	1.39	0.75	0.86
3	Π	464	464	7.39	1.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.545
O2	0.000	0.000	-1.718
S3	0.000	0.000	1.064

	C1	O2	S3
C1		1.1738	1.6082
O2	1.1738		2.7820
S3	1.6082	2.7820

Number	Element	Mulliken
1	C	0.128
2	O	-0.289
3	S	0.161

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

using model chemistry: wB97X-D/6-31G

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>	58.680
(<r²>)^1/2	7.660