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	hartrees
Energy at 0K	-505.543158
Energy at 298.15K	-505.542745
HF Energy	-505.543158
Nuclear repulsion energy	76.553775

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	2090	1934	122.63	1.59	0.15	0.26
2	Σ	876	810	1.07	10.20	0.27	0.43
3	Π	423	392	0.77	0.49	0.75	0.86
3	Π	423	392	0.77	0.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.515
O2	0.000	0.000	-1.753
S3	0.000	0.000	1.070

	C1	O2	S3
C1		1.2381	1.5852
O2	1.2381		2.8233
S3	1.5852	2.8233

Number	Element	Mulliken
1	C	-0.043
2	O	-0.115
3	S	0.158

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

using model chemistry: BLYP/STO-3G

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>	57.335
(<r²>)^1/2	7.572