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	hartrees
Energy at 0K	-511.593026
Energy at 298.15K	-511.592852
HF Energy	-511.593026
Nuclear repulsion energy	78.688388

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	2030	2019	628.49	19.20	0.70	0.82
2	Σ	849	845	5.65	23.40	0.10	0.19
3	Π	504	501	0.99	0.30	0.75	0.86
3	Π	504	501	0.99	0.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.527
O2	0.000	0.000	-1.697
S3	0.000	0.000	1.046

	C1	O2	S3
C1		1.1698	1.5736
O2	1.1698		2.7433
S3	1.5736	2.7433

Number	Element	Mulliken
1	C	0.423
2	O	-0.418
3	S	-0.005

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

using model chemistry: BLYP/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>	57.145
(<r²>)^1/2	7.559