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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	³Σ
2	1	yes	C*V	¹?

	hartrees
Energy at 0K	-25.245471
Energy at 298.15K
HF Energy	-25.245471
Nuclear repulsion energy	10.917573

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.332
O2	0.000	0.000	-1.413

	Se1	O2
Se1		1.7449
O2	1.7449

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Se	0.404
2	O	-0.404

All results from a given calculation for SeO (Selenium monoxide)

using model chemistry: B3LYP/CEP-121G

States and conformations

State 1 (³Σ)

State 2 (¹?)

	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

	hartrees
Energy at 0K	-25.200831
Energy at 298.15K	-25.198320
Nuclear repulsion energy	10.918911

<r²>	25.196
(<r²>)^1/2	5.020

	Se1	O2
Se1		1.7447
O2	1.7447

<r²>	25.281
(<r²>)^1/2	5.028

All results from a given calculation for SeO (Selenium monoxide)

using model chemistry: B3LYP/CEP-121G

States and conformations

State 1 (3Σ)

State 2 (1?)

State 1 (³Σ)

State 2 (¹?)