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	hartrees
Energy at 0K	-510.890411
Energy at 298.15K	-510.890301
HF Energy	-510.342016
Nuclear repulsion energy	79.372583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2143	2143	847.28
2	Σ	881	881	18.23
3	Π	541	541	4.18
3	Π	541	541	4.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.528
O2	0.000	0.000	-1.681
S3	0.000	0.000	1.038

	C1	O2	S3
C1		1.1528	1.5664
O2	1.1528		2.7193
S3	1.5664	2.7193

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

using model chemistry: CCSD/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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