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	hartrees
Energy at 0K	-511.339436
Energy at 298.15K	-511.339307
HF Energy	-511.339436
Nuclear repulsion energy	79.449102

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	2168	2083	762.13	12.03	0.31	0.48
2	Σ	896	861	10.08	15.52	0.25	0.40
3	Π	526	505	5.15	1.60	0.75	0.86
3	Π	526	505	5.15	1.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.527
O2	0.000	0.000	-1.680
S3	0.000	0.000	1.037

	C1	O2	S3
C1		1.1529	1.5638
O2	1.1529		2.7167
S3	1.5638	2.7167

Number	Element	Mulliken
1	C	0.152
2	O	-0.202
3	S	0.049

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

using model chemistry: HSEh1PBE/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>	56.278
(<r²>)^1/2	7.502