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	hartrees
Energy at 0K	-511.610431
Energy at 298.15K	-511.610323
HF Energy	-511.610431
Nuclear repulsion energy	79.784480

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	2161	2161	797.27	19.63	0.70	0.82
2	Σ	901	901	10.47	21.69	0.09	0.17
3	Π	540	540	2.20	0.31	0.75	0.86
3	Π	540	540	2.20	0.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.523
O2	0.000	0.000	-1.673
S3	0.000	0.000	1.033

	C1	O2	S3
C1		1.1502	1.5553
O2	1.1502		2.7054
S3	1.5553	2.7054

Number	Element	Mulliken
1	C	0.555
2	O	-0.500
3	S	-0.055

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

using model chemistry: B1B95/6-311+G(3df,2p)

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>	55.792
(<r²>)^1/2	7.469