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	hartrees
Energy at 0K	-511.081798
Energy at 298.15K	-511.081678
HF Energy	-510.338412
Nuclear repulsion energy	79.289243

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	2107	2107	608.75	26.86	0.42	0.60
2	Σ	899	899	6.33	29.41	0.21	0.35
3	Π	534	534	1.28	0.73	0.75	0.86
3	Π	534	534	1.28	0.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.520
O2	0.000	0.000	-1.685
S3	0.000	0.000	1.038

	C1	O2	S3
C1		1.1651	1.5577
O2	1.1651		2.7229
S3	1.5577	2.7229

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

using model chemistry: MP2=FULL/Def2TZVPP

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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