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	hartrees
Energy at 0K	-510.900510
Energy at 298.15K	-510.900387
HF Energy	-510.341088
Nuclear repulsion energy	79.127559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2106	2027	828.16
2	Σ	869	837	16.39
3	Π	534	514	2.56
3	Π	534	514	2.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.531
O2	0.000	0.000	-1.686
S3	0.000	0.000	1.042

	C1	O2	S3
C1		1.1553	1.5724
O2	1.1553		2.7277
S3	1.5724	2.7277

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

using model chemistry: QCISD/aug-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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