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	hartrees
Energy at 0K	-511.505682
Energy at 298.15K	-511.505533
HF Energy	-511.505682
Nuclear repulsion energy	79.136385

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	2171	2066	696.84	12.41	0.42	0.59
2	Σ	894	850	10.71	14.46	0.23	0.37
3	Π	517	492	7.06	1.03	0.75	0.86
3	Π	517	492	7.06	1.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.526
O2	0.000	0.000	-1.687
S3	0.000	0.000	1.041

	C1	O2	S3
C1		1.1606	1.5671
O2	1.1606		2.7277
S3	1.5671	2.7277

Number	Element	Mulliken
1	C	0.317
2	O	-0.309
3	S	-0.008

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

using model chemistry: mPW1PW91/6-31G**

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>	56.418
(<r²>)^1/2	7.511