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	hartrees
Energy at 0K	-31.318825
Energy at 298.15K	-31.318514
HF Energy	-31.030848
Nuclear repulsion energy	24.864542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	1893	1848	551.84	27.29	0.32	0.48
2	Σ	786	767	6.02	41.66	0.26	0.41
3	Π	432	421	0.33	2.88	0.75	0.86
3	Π	432	421	0.33	2.88	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.548
O2	0.000	0.000	-1.766
S3	0.000	0.000	1.088

	C1	O2	S3
C1		1.2178	1.6364
O2	1.2178		2.8542
S3	1.6364	2.8542

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

using model chemistry: MP2/CEP-121G

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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