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	hartrees
Energy at 0K	-511.595731
Energy at 298.15K	-511.595558
HF Energy	-511.595731
Nuclear repulsion energy	78.662429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2031	2022	578.00
2	Σ	847	844	5.20
3	Π	503	501	1.94
3	Π	503	501	1.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.527
O2	0.000	0.000	-1.698
S3	0.000	0.000	1.046

	C1	O2	S3
C1		1.1710	1.5733
O2	1.1710		2.7443
S3	1.5733	2.7443

Number	Element	Mulliken
1	C	0.111
2	O	-0.093
3	S	-0.018

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

using model chemistry: BLYP/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>	57.013
(<r²>)^1/2	7.551