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	hartrees
Energy at 0K	-505.573014
Energy at 298.15K	-505.572670
HF Energy	-505.573014
Nuclear repulsion energy	77.841823

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	2236	2236	214.58	2.49	0.16	0.27
2	Σ	938	938	3.78	10.08	0.27	0.43
3	Π	451	451	3.24	0.55	0.75	0.86
3	Π	451	451	3.24	0.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.511
O2	0.000	0.000	-1.723
S3	0.000	0.000	1.053

	C1	O2	S3
C1		1.2123	1.5637
O2	1.2123		2.7759
S3	1.5637	2.7759

Number	Element	Mulliken
1	C	0.001
2	O	-0.141
3	S	0.140

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

using model chemistry: wB97X-D/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>	56.013
(<r²>)^1/2	7.484