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	hartrees
Energy at 0K	-505.367100
Energy at 298.15K	-505.366770
HF Energy	-505.367100
Nuclear repulsion energy	77.900487

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	2247	1982	193.93	2.10	0.16	0.27
2	Σ	942	831	2.59	10.03	0.27	0.43
3	Π	459	405	2.65	0.53	0.75	0.86
3	Π	459	405	2.65	0.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.509
O2	0.000	0.000	-1.722
S3	0.000	0.000	1.052

	C1	O2	S3
C1		1.2133	1.5608
O2	1.2133		2.7741
S3	1.5608	2.7741

Number	Element	Mulliken
1	C	-0.009
2	O	-0.131
3	S	0.139

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

using model chemistry: PBE1PBE/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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<r²>	55.914
(<r²>)^1/2	7.478