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	hartrees
Energy at 0K	-511.449109
Energy at 298.15K
HF Energy	-511.222638
Nuclear repulsion energy	79.274456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2084	2084	694.50
2	Σ	877	877	8.11
3	Π	526	526	1.50
3	Π	526	526	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.524
O2	0.000	0.000	-1.684
S3	0.000	0.000	1.039

	C1	O2	S3
C1		1.1606	1.5624
O2	1.1606		2.7230
S3	1.5624	2.7230

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

using model chemistry: B2PLYP=FULLultrafine/aug-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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