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	hartrees
Energy at 0K	-511.530747
Energy at 298.15K	-511.530618
HF Energy	-511.530747
Nuclear repulsion energy	79.471432

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	2177	2083	820.13	12.23	0.32	0.48
2	Σ	893	854	13.68	15.57	0.26	0.41
3	Π	526	503	6.24	1.63	0.75	0.86
3	Π	526	503	6.24	1.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.528
O2	0.000	0.000	-1.679
S3	0.000	0.000	1.037

	C1	O2	S3
C1		1.1506	1.5653
O2	1.1506		2.7159
S3	1.5653	2.7159

Number	Element	Mulliken
1	C	0.166
2	O	-0.207
3	S	0.041

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

using model chemistry: wB97X-D/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>	56.260
(<r²>)^1/2	7.501