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	hartrees
Energy at 0K	-511.394260
Energy at 298.15K	-511.394105
HF Energy	-511.192769
Nuclear repulsion energy	79.033153

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	2103	2103	655.45	13.99	0.31	0.47
2	Σ	875	875	8.00	20.30	0.26	0.42
3	Π	514	514	3.79	1.67	0.75	0.86
3	Π	514	514	3.79	1.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.528
O2	0.000	0.000	-1.689
S3	0.000	0.000	1.042

	C1	O2	S3
C1		1.1613	1.5699
O2	1.1613		2.7312
S3	1.5699	2.7312

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

using model chemistry: B2PLYP=FULL/6-311G*

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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