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	hartrees
Energy at 0K	-511.015692
Energy at 298.15K	-511.015578
HF Energy	-510.340371
Nuclear repulsion energy	79.327960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2116	2007	591.33
2	Σ	898	852	6.77
3	Π	535	507	1.69
3	Π	535	507	1.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.519
O2	0.000	0.000	-1.685
S3	0.000	0.000	1.037

	C1	O2	S3
C1		1.1651	1.5565
O2	1.1651		2.7216
S3	1.5565	2.7216

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

using model chemistry: MP2=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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