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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	-2463.042030
Energy at 298.15K
HF Energy	-2462.880928
Nuclear repulsion energy	85.520410

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.321
O2	0.000	0.000	-1.362

	Se1	O2
Se1		1.6831
O2	1.6831

	hartrees
Energy at 0K	-2463.006569
Energy at 298.15K	-2463.004082
Nuclear repulsion energy	83.767835

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

using model chemistry: CID/3-21G

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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	Se1	O2
Se1		1.7183
O2	1.7183

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

using model chemistry: CID/3-21G

States and conformations

State 1 (3Σ)

State 2 (1?)

State 1 (³Σ)

State 2 (¹?)