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	hartrees
Energy at 0K	-510.341543
Energy at 298.15K	-510.341502
HF Energy	-510.341543
Nuclear repulsion energy	80.169117

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	2289	2083	1217.89	26.56	0.38	0.55
2	Σ	893	813	40.95	9.94	0.15	0.26
3	Π	592	539	11.49	1.19	0.75	0.86
3	Π	592	539	11.49	1.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.536
O2	0.000	0.000	-1.660
S3	0.000	0.000	1.031

	C1	O2	S3
C1		1.1242	1.5674
O2	1.1242		2.6916
S3	1.5674	2.6916

Number	Element	Mulliken
1	C	0.297
2	O	-0.140
3	S	-0.157

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

using model chemistry: HF/cc-pVTZ

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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	x	y	z	Total
	0.000	0.000	0.302	0.302
CHELPG
AIM	0.000	0.000	-4.251	4.251
ESP	0.000	0.000	0.140	0.140

<r²>	55.763
(<r²>)^1/2	7.467