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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	-2476.740940
Energy at 298.15K
HF Energy	-2476.740940
Nuclear repulsion energy	86.179929

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.318
O2	0.000	0.000	-1.352

	Se1	O2
Se1		1.6702
O2	1.6702

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Se	0.608
2	O	-0.608

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

using model chemistry: B3LYP/aug-cc-pVDZ

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	-2476.698577
Energy at 298.15K	-2476.696099
Nuclear repulsion energy	86.209260

<r²>	32.837
(<r²>)^1/2	5.730

	Se1	O2
Se1		1.6696
O2	1.6696

<r²>	32.953
(<r²>)^1/2	5.740

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

State 1 (3Σ)

State 2 (1?)

State 1 (³Σ)

State 2 (¹?)