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	hartrees
Energy at 0K	-511.404937
Energy at 298.15K	-511.404805
HF Energy	-511.220724
Nuclear repulsion energy	79.201152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2090	2090	643.10
2	Σ	876	876	7.59
3	Π	526	526	2.72
3	Π	526	526	2.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.524
O2	0.000	0.000	-1.686
S3	0.000	0.000	1.040

	C1	O2	S3
C1		1.1617	1.5639
O2	1.1617		2.7256
S3	1.5639	2.7256

Number	Element	Mulliken
1	C	0.128
2	O	-0.093
3	S	-0.035

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

using model chemistry: B2PLYP/cc-pV(T+d)Z

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>	56.441
(<r²>)^1/2	7.513