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	hartrees
Energy at 0K	-510.821048
Energy at 298.15K	-510.820979
HF Energy	-510.341399
Nuclear repulsion energy	79.997275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2217	2217	1012.59
2	Σ	911	911	24.47
3	Π	569	569	4.95
3	Π	569	569	4.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.526
O2	0.000	0.000	-1.667
S3	0.000	0.000	1.031

	C1	O2	S3
C1		1.1406	1.5573
O2	1.1406		2.6979
S3	1.5573	2.6979

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

using model chemistry: CID/Def2TZVPP

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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