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	hartrees
Energy at 0K	-510.767184
Energy at 298.15K	-510.767044
HF Energy	-510.299113
Nuclear repulsion energy	78.278134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2069	2069	808.22
2	Σ	856	856	13.97
3	Π	523	523	2.23
3	Π	523	523	2.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.537
O2	0.000	0.000	-1.704
S3	0.000	0.000	1.053

	C1	O2	S3
C1		1.1669	1.5903
O2	1.1669		2.7572
S3	1.5903	2.7572

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

using model chemistry: QCISD/daug-cc-pVDZ

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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