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	hartrees
Energy at 0K	-511.561854
Energy at 298.15K	-511.561722
HF Energy	-511.561854
Nuclear repulsion energy	79.486942

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	2170	2071	769.28	11.81	0.31	0.48
2	Σ	897	856	10.23	15.56	0.25	0.40
3	Π	526	502	5.36	1.59	0.75	0.86
3	Π	526	502	5.36	1.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.526
O2	0.000	0.000	-1.679
S3	0.000	0.000	1.037

	C1	O2	S3
C1		1.1523	1.5632
O2	1.1523		2.7154
S3	1.5632	2.7154

Number	Element	Mulliken
1	C	0.158
2	O	-0.209
3	S	0.051

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

using model chemistry: mPW1PW91/6-311G*

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>	56.208
(<r²>)^1/2	7.497