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	hartrees
Energy at 0K	-508.957655
Energy at 298.15K	-508.957538
HF Energy	-508.957655
Nuclear repulsion energy	78.699979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2087	2003	506.06
2	Σ	880	844	6.67
3	Π	542	520	5.77
3	Π	542	520	5.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.520
O2	0.000	0.000	-1.699
S3	0.000	0.000	1.045

	C1	O2	S3
C1		1.1793	1.5644
O2	1.1793		2.7437
S3	1.5644	2.7437

Number	Element	Mulliken
1	C	0.291
2	O	-0.390
3	S	0.099

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

using model chemistry: B3PW91/3-21G*

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>	57.046
(<r²>)^1/2	7.553