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	hartrees
Energy at 0K	-510.342045
Energy at 298.15K	-510.342008
HF Energy	-510.342045
Nuclear repulsion energy	80.328757

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	2285	2071	1248.92	27.46	0.45	0.62
2	Σ	899	815	42.56	10.78	0.14	0.24
3	Π	597	541	9.84	1.01	0.75	0.86
3	Π	597	541	9.84	1.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.534
O2	0.000	0.000	-1.657
S3	0.000	0.000	1.029

	C1	O2	S3
C1		1.1235	1.5628
O2	1.1235		2.6863
S3	1.5628	2.6863

Number	Element	Mulliken
1	C	0.335
2	O	-0.215
3	S	-0.120

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

using model chemistry: HF/Def2TZVPP

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>	55.608
(<r²>)^1/2	7.457