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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	-2461.869974
Energy at 298.15K	-2461.867490
HF Energy	-2461.869974
Nuclear repulsion energy	84.360944

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.325
O2	0.000	0.000	-1.381

	Se1	O2
Se1		1.7062
O2	1.7062

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Se	0.387
2	O	-0.387

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

using model chemistry: SVWN/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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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-2461.825697
Energy at 298.15K	-2461.823213
HF Energy	-2461.825697
Nuclear repulsion energy	84.349577

<r²>	33.183
(<r²>)^1/2	5.760

	Se1	O2
Se1		1.7064
O2	1.7064

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

using model chemistry: SVWN/3-21G

States and conformations

State 1 (3Σ)

State 2 (1?)

State 1 (³Σ)

State 2 (¹?)