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	hartrees
Energy at 0K	-2514.923448
Energy at 298.15K
HF Energy	-2514.923448
Nuclear repulsion energy	133.680372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1996	1991	577.18
2	Σ	630	628	3.12
3	Π	448	446	0.83
3	Π	448	446	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.032
O2	0.000	0.000	-2.201
Se3	0.000	0.000	0.700

	C1	O2	Se3
C1		1.1694	1.7316
O2	1.1694		2.9010
Se3	1.7316	2.9010

Number	Element	Mulliken
1	C	0.123
2	O	-0.149
3	Se	0.026

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

using model chemistry: BLYP/6-311G*

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	2.988	0.000	0.002
y	0.000	2.988	0.000
z	0.002	0.000	8.247

<r²>	79.958
(<r²>)^1/2	8.942