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	hartrees
Energy at 0K	-510.424571
Energy at 298.15K	-510.424262
HF Energy	-510.155334
Nuclear repulsion energy	77.036712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2068	2068	880.13
2	Σ	788	788	18.93
3	Π	438	438	7.59
3	Π	438	438	7.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.556
O2	0.000	0.000	-1.728
S3	0.000	0.000	1.073

	C1	O2	S3
C1		1.1723	1.6289
O2	1.1723		2.8011
S3	1.6289	2.8011

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

using model chemistry: MP3=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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