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	hartrees
Energy at 0K	-510.681182
Energy at 298.15K	-510.681029
HF Energy	-510.258961
Nuclear repulsion energy	79.201897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2204	2069	929.37
2	Σ	908	852	18.93
3	Π	514	483	8.08
3	Π	514	483	8.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.527
O2	0.000	0.000	-1.685
S3	0.000	0.000	1.040

	C1	O2	S3
C1		1.1587	1.5666
O2	1.1587		2.7253
S3	1.5666	2.7253

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

using model chemistry: MP3/6-31G*

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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