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	hartrees
Energy at 0K	-504.594198
Energy at 298.15K	-504.593837
HF Energy	-504.397300
Nuclear repulsion energy	77.249018

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	2251	1963	109.31	1.57	0.13	0.23
2	Σ	926	808	3.31	22.34	0.29	0.45
3	Π	443	386	0.49	0.60	0.75	0.86
3	Π	443	386	0.49	0.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.509
O2	0.000	0.000	-1.738
S3	0.000	0.000	1.060

	C1	O2	S3
C1		1.2293	1.5689
O2	1.2293		2.7982
S3	1.5689	2.7982

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

using model chemistry: MP2/STO-3G

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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