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	hartrees
Energy at 0K	-511.470843
Energy at 298.15K	-511.470642
HF Energy	-511.470843
Nuclear repulsion energy	78.461837

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	2076	2036	543.70	10.15	0.42	0.59
2	Σ	859	842	5.85	15.47	0.23	0.38
3	Π	492	482	4.71	0.96	0.75	0.86
3	Π	492	482	4.71	0.96	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.527
O2	0.000	0.000	-1.702
S3	0.000	0.000	1.049

	C1	O2	S3
C1		1.1750	1.5764
O2	1.1750		2.7514
S3	1.5764	2.7514

Number	Element	Mulliken
1	C	0.297
2	O	-0.287
3	S	-0.010

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

using model chemistry: B97D3/6-31G*

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>	57.016
(<r²>)^1/2	7.551