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	hartrees
Energy at 0K	-511.323128
Energy at 298.15K	-511.322977
HF Energy	-511.169311
Nuclear repulsion energy	78.521818

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	2095	2008	579.61	14.37	0.28	0.44
2	Σ	873	836	5.16	18.01	0.26	0.41
3	Π	515	494	3.99	1.50	0.75	0.86
3	Π	515	494	3.99	1.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.531
O2	0.000	0.000	-1.700
S3	0.000	0.000	1.049

	C1	O2	S3
C1		1.1684	1.5805
O2	1.1684		2.7489
S3	1.5805	2.7489

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

using model chemistry: B2PLYP=FULL/cc-pVDZ

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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