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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	-2477.988116
Energy at 298.15K
HF Energy	-2477.988116
Nuclear repulsion energy	86.616272

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.317
O2	0.000	0.000	-1.345

	Se1	O2
Se1		1.6618
O2	1.6618

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Se	0.615
2	O	-0.615

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

using model chemistry: B97D3/aug-cc-pVTZ

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	-2477.944314
Energy at 298.15K	-2477.941829
HF Energy	-2477.944314
Nuclear repulsion energy	86.654978

<r²>	32.461
(<r²>)^1/2	5.697

	Se1	O2
Se1		1.6610
O2	1.6610

<r²>	32.602
(<r²>)^1/2	5.710

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

State 1 (3Σ)

State 2 (1?)

State 1 (³Σ)

State 2 (¹?)