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	hartrees
Energy at 0K	-511.542730
Energy at 298.15K	-511.542620
HF Energy	-511.542730
Nuclear repulsion energy	79.553249

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	2157	2061	924.49	24.43	0.73	0.84
2	Σ	886	847	17.03	22.75	0.07	0.13
3	Π	539	516	2.87	0.30	0.75	0.86
3	Π	539	516	2.87	0.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.528
O2	0.000	0.000	-1.677
S3	0.000	0.000	1.036

	C1	O2	S3
C1		1.1486	1.5645
O2	1.1486		2.7130
S3	1.5645	2.7130

Number	Element	Mulliken
1	C	0.063
2	O	-0.181
3	S	0.117

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

using model chemistry: M06-2X/aug-cc-pVTZ

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>	56.186
(<r²>)^1/2	7.496