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	hartrees
Energy at 0K	-510.450300
Energy at 298.15K	-510.449959
HF Energy	-510.150613
Nuclear repulsion energy	76.294528

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	1951	1853	476.42	21.79	0.34	0.50
2	Σ	796	756	7.89	34.02	0.28	0.44
3	Π	419	398	2.10	1.79	0.75	0.86
3	Π	419	398	2.10	1.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.547
O2	0.000	0.000	-1.749
S3	0.000	0.000	1.080

	C1	O2	S3
C1		1.2023	1.6269
O2	1.2023		2.8292
S3	1.6269	2.8292

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

using model chemistry: MP2=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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