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	hartrees
Energy at 0K	-509.954268
Energy at 298.15K	-509.954113
HF Energy	-509.954268
Nuclear repulsion energy	79.299667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2129	2105	604.84
2	Σ	887	877	4.06
3	Π	509	503	1.80
3	Π	509	503	1.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.523
O2	0.000	0.000	-1.684
S3	0.000	0.000	1.038

	C1	O2	S3
C1		1.1607	1.5615
O2	1.1607		2.7222
S3	1.5615	2.7222

Number	Element	Mulliken
1	C	0.210
2	O	-0.171
3	S	-0.040

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

using model chemistry: SVWN/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>	56.418
(<r²>)^1/2	7.511