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	hartrees
Energy at 0K	-511.556537
Energy at 298.15K	-511.556430
HF Energy	-511.556537
Nuclear repulsion energy	79.655591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2165	2165	807.00
2	Σ	893	893	13.17
3	Π	540	540	4.16
3	Π	540	540	4.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.525
O2	0.000	0.000	-1.675
S3	0.000	0.000	1.034

	C1	O2	S3
C1		1.1504	1.5593
O2	1.1504		2.7097
S3	1.5593	2.7097

Number	Element	Mulliken
1	C	0.167
2	O	-0.103
3	S	-0.063

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

using model chemistry: wB97X-D/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>	55.868
(<r²>)^1/2	7.474