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	hartrees
Energy at 0K	-511.360218
Energy at 298.15K	-511.360111
HF Energy	-511.360218
Nuclear repulsion energy	79.666324

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	2156	2156	781.58	19.63	0.70	0.82
2	Σ	900	900	10.10	21.87	0.09	0.17
3	Π	540	540	2.07	0.33	0.75	0.86
3	Π	540	540	2.07	0.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.524
O2	0.000	0.000	-1.675
S3	0.000	0.000	1.034

	C1	O2	S3
C1		1.1518	1.5577
O2	1.1518		2.7094
S3	1.5577	2.7094

Number	Element	Mulliken
1	C	0.541
2	O	-0.504
3	S	-0.037

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

using model chemistry: HSEh1PBE/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>	55.968
(<r²>)^1/2	7.481