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	hartrees
Energy at 0K	-511.290282
Energy at 298.15K	-511.290110
HF Energy	-511.137494
Nuclear repulsion energy	78.693985

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	2105	2105	584.83	13.84	0.40	0.57
2	Σ	875	875	7.91	18.95	0.24	0.39
3	Π	504	504	5.62	1.05	0.75	0.86
3	Π	504	504	5.62	1.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.527
O2	0.000	0.000	-1.697
S3	0.000	0.000	1.046

	C1	O2	S3
C1		1.1706	1.5726
O2	1.1706		2.7432
S3	1.5726	2.7432

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

using model chemistry: B2PLYP=FULL/6-31G**

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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