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	hartrees
Energy at 0K	-507.950809
Energy at 298.15K	-507.950604
HF Energy	-507.663821
Nuclear repulsion energy	76.573455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2010	1948	477.67
2	Σ	754	731	11.93
3	Π	507	491	6.95
3	Π	507	491	6.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.560
O2	0.000	0.000	-1.739
S3	0.000	0.000	1.079

	C1	O2	S3
C1		1.1781	1.6399
O2	1.1781		2.8181
S3	1.6399	2.8181

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

using model chemistry: QCISD/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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