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	hartrees
Energy at 0K	-511.117795
Energy at 298.15K	-511.117663
HF Energy	-510.339051
Nuclear repulsion energy	79.142570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2088	2088
2	Σ	873	873
3	Π	529	529
3	Π	529	529

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.526
O2	0.000	0.000	-1.687
S3	0.000	0.000	1.041

	C1	O2	S3
C1		1.1603	1.5670
O2	1.1603		2.7273
S3	1.5670	2.7273

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

using model chemistry: QCISD(T)=FULL/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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