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	hartrees
Energy at 0K	-510.832658
Energy at 298.15K	-510.832674
HF Energy	-510.344916
Nuclear repulsion energy	79.924960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2206	2206	1046.94
2	Σ	906	906	25.69
3	Π	565	565	3.73
3	Π	565	565	3.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.527
O2	0.000	0.000	-1.669
S3	0.000	0.000	1.032

	C1	O2	S3
C1		1.1416	1.5587
O2	1.1416		2.7003
S3	1.5587	2.7003

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

using model chemistry: CID/aug-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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