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	hartrees
Energy at 0K	-511.580337
Energy at 298.15K	-511.580147
HF Energy	-511.580337
Nuclear repulsion energy	78.381608

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	2030	2025	594.85	13.46	0.37	0.54
2	Σ	840	838	4.88	17.50	0.24	0.38
3	Π	495	494	1.80	1.34	0.75	0.86
3	Π	495	494	1.80	1.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.531
O2	0.000	0.000	-1.703
S3	0.000	0.000	1.051

	C1	O2	S3
C1		1.1718	1.5821
O2	1.1718		2.7539
S3	1.5821	2.7539

Number	Element	Mulliken
1	C	0.215
2	O	-0.181
3	S	-0.034

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

using model chemistry: BLYP/TZVP

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>	57.507
(<r²>)^1/2	7.583