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	hartrees
Energy at 0K	-511.158427
Energy at 298.15K	-511.158127
HF Energy	-511.050966
Nuclear repulsion energy	76.742839

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	1967	1967	469.45	11.47	0.35	0.52
2	Σ	786	786	4.35	20.56	0.27	0.42
3	Π	443	443	4.08	1.52	0.75	0.86
3	Π	443	443	4.08	1.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.547
O2	0.000	0.000	-1.738
S3	0.000	0.000	1.074

	C1	O2	S3
C1		1.1906	1.6218
O2	1.1906		2.8124
S3	1.6218	2.8124

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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