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	hartrees
Energy at 0K	-508.092700
Energy at 298.15K	-508.092575
HF Energy	-507.777337
Nuclear repulsion energy	78.770596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2110	1972	686.73
2	Σ	876	819	19.06
3	Π	537	502	10.73
3	Π	537	502	10.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.525
O2	0.000	0.000	-1.696
S3	0.000	0.000	1.045

	C1	O2	S3
C1		1.1705	1.5701
O2	1.1705		2.7406
S3	1.5701	2.7406

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

using model chemistry: CISD/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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