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	hartrees
Energy at 0K	-510.929427
Energy at 298.15K	-510.929281
HF Energy	-510.340793
Nuclear repulsion energy	78.959131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2104	2104
2	Σ	868	868
3	Π	522	522
3	Π	522	522

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.530
O2	0.000	0.000	-1.690
S3	0.000	0.000	1.044

	C1	O2	S3
C1		1.1592	1.5742
O2	1.1592		2.7334
S3	1.5742	2.7334

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

using model chemistry: QCISD(TQ)/daug-cc-pVTZ

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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