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	hartrees
Energy at 0K	-509.022346
Energy at 298.15K	-509.022237
HF Energy	-509.022346
Nuclear repulsion energy	78.857032

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	2105	1999	535.62	8.71	0.36	0.53
2	Σ	887	843	7.53	12.82	0.28	0.44
3	Π	546	519	6.41	0.84	0.75	0.86
3	Π	546	519	6.41	0.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.519
O2	0.000	0.000	-1.696
S3	0.000	0.000	1.043

	C1	O2	S3
C1		1.1762	1.5619
O2	1.1762		2.7381
S3	1.5619	2.7381

Number	Element	Mulliken
1	C	0.301
2	O	-0.399
3	S	0.098

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

using model chemistry: mPW1PW91/3-21G*

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>	56.903
(<r²>)^1/2	7.543