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	hartrees
Energy at 0K	-31.549025
Energy at 298.15K	-31.548835
HF Energy	-31.130703
Nuclear repulsion energy	25.465727

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	2091	1985	586.84	26.47	0.21	0.35
2	Σ	883	839	4.87	32.09	0.29	0.45
3	Π	495	470	3.25	2.32	0.75	0.86
3	Π	495	470	3.25	2.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.530
O2	0.000	0.000	-1.724
S3	0.000	0.000	1.060

	C1	O2	S3
C1		1.1940	1.5901
O2	1.1940		2.7842
S3	1.5901	2.7842

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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