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	hartrees
Energy at 0K	-31.286732
Energy at 298.15K	-31.286417
HF Energy	-31.025826
Nuclear repulsion energy	24.745171

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	1905	1841	504.00	31.94	0.16	0.28
2	Σ	796	769	5.16	39.85	0.32	0.48
3	Π	434	420	1.37	3.93	0.75	0.86
3	Π	434	420	1.37	3.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.550
O2	0.000	0.000	-1.774
S3	0.000	0.000	1.093

	C1	O2	S3
C1		1.2244	1.6432
O2	1.2244		2.8676
S3	1.6432	2.8676

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

using model chemistry: MP2/CEP-31G

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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