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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	-2445.703839
Energy at 298.15K	-2445.701332
Nuclear repulsion energy	83.450633

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.329
O2	0.000	0.000	-1.396

	Se1	O2
Se1		1.7248
O2	1.7248

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Se	0.123
2	O	-0.123

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

using model chemistry: LSDA/STO-3G

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	-2445.651737
Energy at 298.15K	-2445.649227
Nuclear repulsion energy	83.231611

<r²>	0.000
(<r²>)^1/2	0.000

	Se1	O2
Se1		1.7293
O2	1.7293

<r²>	32.375
(<r²>)^1/2	5.690

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

using model chemistry: LSDA/STO-3G

States and conformations

State 1 (3Σ)

State 2 (1?)

State 1 (³Σ)

State 2 (¹?)