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	hartrees
Energy at 0K	-2514.554444
Energy at 298.15K
HF Energy	-2514.237264
Nuclear repulsion energy	135.203790

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	2048	2048	711.41	39.43	0.74	0.85
2	Σ	665	665	5.71	25.00	0.09	0.16
3	Π	474	474	0.33	0.36	0.75	0.86
3	Π	474	474	0.33	0.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.019
O2	0.000	0.000	-2.177
Se3	0.000	0.000	0.692

	C1	O2	Se3
C1		1.1572	1.7114
O2	1.1572		2.8686
Se3	1.7114	2.8686

All results from a given calculation for OCSe (Carbonyl selenide)

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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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