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	hartrees
Energy at 0K	-510.827637
Energy at 298.15K	-510.827561
HF Energy	-510.343049
Nuclear repulsion energy	79.848633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2205	2205	960.12
2	Σ	903	903	23.19
3	Π	562	562	5.76
3	Π	562	562	5.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.527
O2	0.000	0.000	-1.670
S3	0.000	0.000	1.033

	C1	O2	S3
C1		1.1432	1.5597
O2	1.1432		2.7029
S3	1.5597	2.7029

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

using model chemistry: CISD/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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