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	hartrees
Energy at 0K	-511.494963
Energy at 298.15K	-511.494825
HF Energy	-511.494963
Nuclear repulsion energy	79.340965

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	2151	2071	738.32	11.27	0.31	0.48
2	Σ	890	857	9.13	15.87	0.25	0.41
3	Π	521	502	4.84	1.58	0.75	0.86
3	Π	521	502	4.84	1.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.527
O2	0.000	0.000	-1.682
S3	0.000	0.000	1.038

	C1	O2	S3
C1		1.1553	1.5652
O2	1.1553		2.7205
S3	1.5652	2.7205

Number	Element	Mulliken
1	C	0.150
2	O	-0.205
3	S	0.055

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

using model chemistry: B3PW91/6-311G**

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>	56.350
(<r²>)^1/2	7.507