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	hartrees
Energy at 0K	-505.306738
Energy at 298.15K
HF Energy	-505.230521
Nuclear repulsion energy	77.271099

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	2166	2166	135.24	1.60	0.13	0.23
2	Σ	905	905	1.73	13.15	0.27	0.43
3	Π	441	441	1.37	0.57	0.75	0.86
3	Π	441	441	1.37	0.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.511
O2	0.000	0.000	-1.737
S3	0.000	0.000	1.060

	C1	O2	S3
C1		1.2253	1.5717
O2	1.2253		2.7969
S3	1.5717	2.7969

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

using model chemistry: B2PLYP=FULLultrafine/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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