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	hartrees
Energy at 0K	-510.764483
Energy at 298.15K	-510.764339
HF Energy	-510.298113
Nuclear repulsion energy	78.251296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2067	2002	811.54
2	Σ	855	828	14.11
3	Π	521	505	2.56
3	Π	521	505	2.56

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	1.054

	C1	O2	S3
C1		1.1672	1.5909
O2	1.1672		2.7581
S3	1.5909	2.7581

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

using model chemistry: QCISD/aug-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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