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	hartrees
Energy at 0K	-510.893260
Energy at 298.15K	-510.893142
HF Energy	-510.341649
Nuclear repulsion energy	79.249216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2116	2020	782.40
2	Σ	874	834	16.08
3	Π	536	512	4.11
3	Π	536	512	4.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.528
O2	0.000	0.000	-1.684
S3	0.000	0.000	1.040

	C1	O2	S3
C1		1.1555	1.5681
O2	1.1555		2.7236
S3	1.5681	2.7236

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

using model chemistry: QCISD/cc-pV(T+d)Z

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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