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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	-2473.833597
Energy at 298.15K
HF Energy	-2473.833597
Nuclear repulsion energy	82.206709

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.334
O2	0.000	0.000	-1.417

	Se1	O2
Se1		1.7509
O2	1.7509

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Se	0.454
2	O	-0.454

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

using model chemistry: PBEPBE/6-31G

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	-2473.788800
Energy at 298.15K	-2473.786283
Nuclear repulsion energy	82.118907

<r²>	34.556
(<r²>)^1/2	5.878

	Se1	O2
Se1		1.7528
O2	1.7528

<r²>	34.647
(<r²>)^1/2	5.886

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

using model chemistry: PBEPBE/6-31G

States and conformations

State 1 (3Σ)

State 2 (1?)

State 1 (³Σ)

State 2 (¹?)