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	hartrees
Energy at 0K	-510.704382
Energy at 298.15K	-510.704210
HF Energy	-510.255874
Nuclear repulsion energy	78.686906

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	2117	1994	543.94	18.07	0.40	0.57
2	Σ	902	850	7.01	29.30	0.26	0.41
3	Π	503	474	3.92	1.05	0.75	0.86
3	Π	503	474	3.92	1.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.521
O2	0.000	0.000	-1.699
S3	0.000	0.000	1.045

	C1	O2	S3
C1		1.1787	1.5653
O2	1.1787		2.7441
S3	1.5653	2.7441

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

using model chemistry: MP2=FULL/6-31G*

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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