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	hartrees
Energy at 0K	-508.128479
Energy at 298.15K	-508.128346
HF Energy	-507.777497
Nuclear repulsion energy	78.854367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2146	2146	755.82
2	Σ	887	887	16.25
3	Π	529	529	9.33
3	Π	529	529	9.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.525
O2	0.000	0.000	-1.694
S3	0.000	0.000	1.044

	C1	O2	S3
C1		1.1690	1.5687
O2	1.1690		2.7377
S3	1.5687	2.7377

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

using model chemistry: MP3=FULL/3-21G*

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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