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	hartrees
Energy at 0K	-511.016178
Energy at 298.15K	-511.016083
HF Energy	-510.342443
Nuclear repulsion energy	79.629151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2160	2160	853.68
2	Σ	888	888	18.31
3	Π	550	550	4.13
3	Π	550	550	4.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.526
O2	0.000	0.000	-1.676
S3	0.000	0.000	1.035

	C1	O2	S3
C1		1.1496	1.5609
O2	1.1496		2.7106
S3	1.5609	2.7106

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

using model chemistry: CCSD=FULL/cc-pV(T+d)Z

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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