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	hartrees
Energy at 0K	-510.774628
Energy at 298.15K	-510.774490
HF Energy	-510.297443
Nuclear repulsion energy	78.250557

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	2071	2071	638.43	33.55	0.68	0.81
2	Σ	884	884	5.54	41.36	0.12	0.21
3	Π	519	519	0.63	0.37	0.75	0.86
3	Π	519	519	0.63	0.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.529
O2	0.000	0.000	-1.707
S3	0.000	0.000	1.052

	C1	O2	S3
C1		1.1782	1.5807
O2	1.1782		2.7588
S3	1.5807	2.7588

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

using model chemistry: MP2=FULL/daug-cc-pVDZ

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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